7-[[2-(4-acetyloxyphenyl)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-7-formamido-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-(4-acetyloxyphenyl)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-7-formamido-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(4-acetoxyphenyl)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-7-formamido-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(4-acetyloxyphenyl)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-7-formamido-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(4-acetyloxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-7-formamido-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(4-acetoxyphenyl)-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]acetyl]amino]-7-formamido-8-keto-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C28H28N8O10S3 MolecularWeight: 732.76452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)OC(=O)C)C(=O)NC3(C4N(C3=O)C(=C(CS4)CSC5=NN=CS5)C(=O)O)NC=O

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)OC(=O)C)C(=O)NC3(C4N(C3=O)C(=C(CS4)CSC5=NN=CS5)C(=O)O)NC=O

InChI

InChI=1S/C28H28N8O10S3/c1-3-34-8-9-35(22(41)21(34)40)26(45)31-18(15-4-6-17(7-5-15)46-14(2)38)20(39)32-28(29-12-37)24(44)36-19(23(42)43)16(10-47-25(28)36)11-48-27-33-30-13-49-27/h4-7,12-13,18,25H,3,8-11H2,1-2H3,(H,29,37)(H,31,45)(H,32,39)(H,42,43)