N-(2,2-dimethoxyethyl)-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(2,2-dimethoxyethyl)-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-(2,2-dimethoxyethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2,2-dimethoxyethyl)-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2,2-dimethoxyethyl)-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-N-(2,2-dimethoxyethyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC=C)OC

Isomeric SMILES

COC(CNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC=C)OC

InChI

InChI=1S/C21H22N2O4S/c1-4-11-23-16-12-14(20(24)22-13-19(26-2)27-3)9-10-18(16)28-17-8-6-5-7-15(17)21(23)25/h4-10,12,19H,1,11,13H2,2-3H3,(H,22,24)