7-[(2-azanyl-2-cyclohexa-1,4-dien-1-yl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-oxidanylbenzoate

Systemtic Name: 7-[(2-azanyl-2-cyclohexa-1,4-dien-1-yl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-oxidanylbenzoate Openeye Name: 7-[(2-amino-2-cyclohexa-1,4-dien-1-yl-acetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-hydroxybenzoate CAS Name: 7-[[2-amino-2-(1-cyclohexa-1,4-dienyl)-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-hydroxybenzoate IUPAC Name: 7-[(2-amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-hydroxybenzoate Traditional Name: 7-[(2-amino-2-cyclohexa-1,4-dien-1-yl-acetyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-hydroxybenzoate Formula: C23H24N3O7S- MolecularWeight: 486.51756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O.C1=CC(=CC=C1C(=O)[O-])O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O.C1=CC(=CC=C1C(=O)[O-])O

InChI

InChI=1S/C16H19N3O4S.C7H6O3/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;8-6-3-1-5(2-4-6)7(9)10/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23);1-4,8H,(H,9,10)/p-1