N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OCC)OCC)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OCC)OCC)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C28H30N2O4S/c1-4-30-22-18-20(12-14-26(22)35-25-10-8-7-9-21(25)28(30)32)27(31)29-16-15-19-11-13-23(33-5-2)24(17-19)34-6-3/h7-14,17-18H,4-6,15-16H2,1-3H3,(H,29,31)