7-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-3-[[1-(2-dimethylaminoethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Systemtic Name: 7-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-3-[[1-(2-dimethylaminoethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 7-[[2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-3-[[[1-(2-dimethylaminoethyl)-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-3-[[[1-(2-dimethylaminoethyl)tetrazol-5-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C18H23N9O4S3 MolecularWeight: 525.62812

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=NN=N1)SCC2=CSC3C(C(=O)N3C2C(=O)O)NC(=O)CC4=CSC(=N4)N

Isomeric SMILES

CN(C)CCN1C(=NN=N1)SCC2=CSC3C(C(=O)N3C2C(=O)O)NC(=O)CC4=CSC(=N4)N

InChI

InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h6,8,12-13,15H,3-5,7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)