3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-phenyl-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-phenyl-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-phenyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1-oxo-2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-2-phenylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-phenyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[[2-phenyl-2-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H22N8O5S4 MolecularWeight: 618.73138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)NC(=O)CSC5=NC=NN5)SC2)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)NC(=O)CSC5=NC=NN5)SC2)C(=O)O

InChI

InChI=1S/C23H22N8O5S4/c1-11-28-30-23(40-11)39-8-13-7-37-20-16(19(34)31(20)17(13)21(35)36)27-18(33)15(12-5-3-2-4-6-12)26-14(32)9-38-22-24-10-25-29-22/h2-6,10,15-16,20H,7-9H2,1H3,(H,26,32)(H,27,33)(H,35,36)(H,24,25,29)