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

Systemtic Name: 3-(3-azanylsulfanylcarbonylphenyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(3-aminosulfanylcarbonylphenyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[3-[(aminothio)-oxomethyl]phenyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(3-aminosulfanylcarbonylphenyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[3-(aminothio)carbonylphenyl]-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H16N2O5S MolecularWeight: 348.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)C3=CC(=CC=C3)C(=O)SN)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)O)C3=CC(=CC=C3)C(=O)SN)O

InChI

InChI=1S/C16H16N2O5S/c1-7(19)12-11-6-10(13(15(21)22)18(11)14(12)20)8-3-2-4-9(5-8)16(23)24-17/h2-5,7,11-12,19H,6,17H2,1H3,(H,21,22)