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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OCC

InChI

InChI=1S/C22H26N2O4S/c1-3-27-18-7-5-15(13-19(18)28-4-2)9-11-23-22(26)16-6-8-20-17(14-16)24-21(25)10-12-29-20/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,26)(H,24,25)