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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-homoveratryl-2-(4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H28N2O4S/c1-32-22-13-12-19(16-23(22)33-2)14-15-28-26(30)18-29-21-10-6-7-11-24(21)34-25(17-27(29)31)20-8-4-3-5-9-20/h3-13,16,25H,14-15,17-18H2,1-2H3,(H,28,30)