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

Systemtic Name: N-cyclohexyl-2-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: N-cyclohexyl-2-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-cyclohexyl-2-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-cyclohexyl-2-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: N-cyclohexyl-2-[(2R)-2-(3,4-dimethoxyphenyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C25H30N2O4S MolecularWeight: 454.5817

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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)NC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C3=CC=CC=C3S2)CC(=O)NC4CCCCC4)OC

InChI

InChI=1S/C25H30N2O4S/c1-30-20-13-12-17(14-21(20)31-2)23-15-25(29)27(19-10-6-7-11-22(19)32-23)16-24(28)26-18-8-4-3-5-9-18/h6-7,10-14,18,23H,3-5,8-9,15-16H2,1-2H3,(H,26,28)/t23-/m1/s1