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

Systemtic Name: (2R)-2-(3,4-dimethoxyphenyl)-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2R)-2-(3,4-dimethoxyphenyl)-5-[2-oxo-2-(1-piperidyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2R)-2-(3,4-dimethoxyphenyl)-5-[2-oxo-2-(1-piperidinyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2R)-2-(3,4-dimethoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2R)-2-(3,4-dimethoxyphenyl)-5-(2-keto-2-piperidino-ethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C24H28N2O4S MolecularWeight: 440.55512

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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)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C3=CC=CC=C3S2)CC(=O)N4CCCCC4)OC

InChI

InChI=1S/C24H28N2O4S/c1-29-19-11-10-17(14-20(19)30-2)22-15-23(27)26(18-8-4-5-9-21(18)31-22)16-24(28)25-12-6-3-7-13-25/h4-5,8-11,14,22H,3,6-7,12-13,15-16H2,1-2H3/t22-/m1/s1