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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)CCSC3=CC=CC=C32)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)CCSC3=CC=CC=C32)OCC

InChI

InChI=1S/C23H28N2O4S/c1-3-28-19-10-9-17(15-20(19)29-4-2)11-13-24-22(26)16-25-18-7-5-6-8-21(18)30-14-12-23(25)27/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,24,26)