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

Systemtic Name: N-(2-methoxyethyl)-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-(2-methoxyethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-methoxyethyl)-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-methoxyethyl)-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-6-keto-N-(2-methoxyethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C20H20N2O3S/c1-3-11-22-16-13-14(19(23)21-10-12-25-2)8-9-18(16)26-17-7-5-4-6-15(17)20(22)24/h3-9,13H,1,10-12H2,2H3,(H,21,23)