9,9-dimethyl-7-oxidanylidene-6-thiophen-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid

Systemtic Name: 9,9-dimethyl-7-oxidanylidene-6-thiophen-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid Openeye Name: 9,9-dimethyl-7-oxo-6-(2-thienyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid CAS Name: 9,9-dimethyl-7-oxo-6-thiophen-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid IUPAC Name: 9,9-dimethyl-7-oxo-6-thiophen-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid Traditional Name: 7-keto-9,9-dimethyl-6-(2-thienyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)O)C4=CC=CS4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)O)C4=CC=CS4)C(=O)C1)C

InChI

InChI=1S/C20H20N2O3S/c1-20(2)9-14-17(15(23)10-20)18(16-4-3-7-26-16)22-12-6-5-11(19(24)25)8-13(12)21-14/h3-8,18,21-22H,9-10H2,1-2H3,(H,24,25)