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

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(4-ethoxybenzyl)-6-keto-N-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O3S/c1-3-29-18-11-8-16(9-12-18)15-26-20-14-17(23(27)25-2)10-13-22(20)30-21-7-5-4-6-19(21)24(26)28/h4-14H,3,15H2,1-2H3,(H,25,27)