7-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-(3-hydroxyphenyl)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-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-(3-hydroxyphenyl)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-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(3-hydroxyphenyl)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-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-2-(3-hydroxyphenyl)-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-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(3-hydroxyphenyl)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-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-(3-hydroxyphenyl)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: C26H26N8O9S3 MolecularWeight: 690.72784

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H26N8O9S3/c1-2-32-6-7-33(20(39)19(32)38)24(43)29-16(13-4-3-5-15(36)8-13)18(37)30-26(27-11-35)22(42)34-17(21(40)41)14(9-44-23(26)34)10-45-25-31-28-12-46-25/h3-5,8,11-12,16,23,36H,2,6-7,9-10H2,1H3,(H,27,35)(H,29,43)(H,30,37)(H,40,41)