5-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(4-ethoxybenzyl)-6-keto-N-(2-methoxyethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S/c1-3-32-20-11-8-18(9-12-20)17-28-22-16-19(25(29)27-14-15-31-2)10-13-24(22)33-23-7-5-4-6-21(23)26(28)30/h4-13,16H,3,14-15,17H2,1-2H3,(H,27,29)