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

Systemtic Name: ethyl 6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: ethyl 5-allyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-allyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid ethyl ester Formula: C19H17NO3S MolecularWeight: 339.40818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C19H17NO3S/c1-3-11-20-15-12-13(19(22)23-4-2)9-10-17(15)24-16-8-6-5-7-14(16)18(20)21/h3,5-10,12H,1,4,11H2,2H3