methyl 5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: methyl 5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 5-[(4-ethoxyphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-ethoxyphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-(4-ethoxybenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)OC)SC4=CC=CC=C4C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)OC)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C24H21NO4S/c1-3-29-18-11-8-16(9-12-18)15-25-20-14-17(24(27)28-2)10-13-22(20)30-21-7-5-4-6-19(21)23(25)26/h4-14H,3,15H2,1-2H3