3-(4-carbamothioylphenyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(4-carbamothioylphenyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(4-carbamothioylphenyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(4-carbamothioylphenyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(4-carbamothioylphenyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-(4-thiocarbamoylphenyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)C3=CC=C(C=C3)C(=S)N)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)O)C3=CC=C(C=C3)C(=S)N)O

InChI

InChI=1S/C16H16N2O4S/c1-7(19)12-11-6-10(13(16(21)22)18(11)15(12)20)8-2-4-9(5-3-8)14(17)23/h2-5,7,11-12,19H,6H2,1H3,(H2,17,23)(H,21,22)