6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid

Systemtic Name: 6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 5-allyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 5-allyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C3C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C3C1=O

InChI

InChI=1S/C17H13NO3S/c1-2-9-18-13-10-11(17(20)21)7-8-15(13)22-14-6-4-3-5-12(14)16(18)19/h2-8,10H,1,9H2,(H,20,21)