(2R)-2-(3,4-dimethoxyphenyl)-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2R)-2-(3,4-dimethoxyphenyl)-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2R)-2-(3,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2R)-2-(3,4-dimethoxyphenyl)-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2R)-2-(3,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2R)-2-(3,4-dimethoxyphenyl)-5-(2-keto-2-pyrrolidino-ethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C23H26N2O4S MolecularWeight: 426.52854

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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)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C3=CC=CC=C3S2)CC(=O)N4CCCC4)OC

InChI

InChI=1S/C23H26N2O4S/c1-28-18-10-9-16(13-19(18)29-2)21-14-22(26)25(15-23(27)24-11-5-6-12-24)17-7-3-4-8-20(17)30-21/h3-4,7-10,13,21H,5-6,11-12,14-15H2,1-2H3/t21-/m1/s1