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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C3=CC=CC=C3S2)CC(=O)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H28N2O4S/c1-32-22-13-12-20(16-23(22)33-2)25-17-27(31)29(21-10-6-7-11-24(21)34-25)18-26(30)28-15-14-19-8-4-3-5-9-19/h3-13,16,25H,14-15,17-18H2,1-2H3,(H,28,30)/t25-/m1/s1