8-chloranyl-6-ethylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid

Systemtic Name: 8-chloranyl-6-ethylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 8-chloro-6-ethylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 8-chloro-6-ethylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid IUPAC Name: 8-chloro-6-ethylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 8-chloro-6-ethylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C2=C(C=CC(=C2)Cl)SC3=C(N1)C=C(C=C3)C(=O)O

Isomeric SMILES

CC=C1C2=C(C=CC(=C2)Cl)SC3=C(N1)C=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12ClNO2S/c1-2-12-11-8-10(17)4-6-14(11)21-15-5-3-9(16(19)20)7-13(15)18-12/h2-8,18H,1H3,(H,19,20)