N-(2,6-dimethoxypyridin-3-yl)-2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonyl-ethanamide

Systemtic Name: N-(2,6-dimethoxypyridin-3-yl)-2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonyl-ethanamide Openeye Name: N-(2,6-dimethoxy-3-pyridyl)-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonyl-acetamide CAS Name: N-(2,6-dimethoxy-3-pyridinyl)-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonylacetamide IUPAC Name: N-(2,6-dimethoxypyridin-3-yl)-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonylacetamide Traditional Name: N-(2,6-dimethoxy-3-pyridyl)-2-(4-keto-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)-N-mesyl-acetamide Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(C2=CC=CC=C2S1)CC(=O)N(C3=C(N=C(C=C3)OC)OC)S(=O)(=O)C)C

Isomeric SMILES

CC1(CC(=O)N(C2=CC=CC=C2S1)CC(=O)N(C3=C(N=C(C=C3)OC)OC)S(=O)(=O)C)C

InChI

InChI=1S/C21H25N3O6S2/c1-21(2)12-18(25)23(14-8-6-7-9-16(14)31-21)13-19(26)24(32(5,27)28)15-10-11-17(29-3)22-20(15)30-4/h6-11H,12-13H2,1-5H3