7-acetamido-3-[(4-methylphenyl)carbonylsulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Systemtic Name: 7-acetamido-3-[(4-methylphenyl)carbonylsulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 7-acetamido-3-[(4-methylbenzoyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 7-acetamido-3-[[[(4-methylphenyl)-oxomethyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 7-acetamido-3-[(4-methylbenzoyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 7-acetamido-8-keto-3-[(p-toluoylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SCC2=CSC3C(C(=O)N3C2C(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SCC2=CSC3C(C(=O)N3C2C(=O)O)NC(=O)C

InChI

InChI=1S/C18H18N2O5S2/c1-9-3-5-11(6-4-9)18(25)27-8-12-7-26-16-13(19-10(2)21)15(22)20(16)14(12)17(23)24/h3-7,13-14,16H,8H2,1-2H3,(H,19,21)(H,23,24)