N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H22N2O4S/c1-12(15-11-14(25-2)5-6-17(15)26-3)21-20(24)13-4-7-18-16(10-13)22-19(23)8-9-27-18/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)(H,22,23)