N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-homoveratryl-2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)CCSC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)CCSC3=CC=CC=C32)OC

InChI

InChI=1S/C21H24N2O4S/c1-26-17-8-7-15(13-18(17)27-2)9-11-22-20(24)14-23-16-5-3-4-6-19(16)28-12-10-21(23)25/h3-8,13H,9-12,14H2,1-2H3,(H,22,24)