ethyl 5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: ethyl 5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: ethyl 5-methyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-methyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid ethyl ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C17H15NO3S/c1-3-21-17(20)11-8-9-15-13(10-11)18(2)16(19)12-6-4-5-7-14(12)22-15/h4-10H,3H2,1-2H3