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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-N-homoveratryl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C)OC

InChI

InChI=1S/C27H26N2O4S/c1-4-15-29-21-17-19(10-12-25(21)34-24-8-6-5-7-20(24)27(29)31)26(30)28-14-13-18-9-11-22(32-2)23(16-18)33-3/h4-12,16-17H,1,13-15H2,2-3H3,(H,28,30)