N-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonyl-ethanamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonyl-ethanamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonyl-acetamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonylacetamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonylacetamide Traditional Name: 2-(4-keto-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)-N-mesyl-N-o-veratryl-acetamide Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(C2=CC=CC=C2S1)CC(=O)N(CC3=C(C(=CC=C3)OC)OC)S(=O)(=O)C)C

Isomeric SMILES

CC1(CC(=O)N(C2=CC=CC=C2S1)CC(=O)N(CC3=C(C(=CC=C3)OC)OC)S(=O)(=O)C)C

InChI

InChI=1S/C23H28N2O6S2/c1-23(2)13-20(26)24(17-10-6-7-12-19(17)32-23)15-21(27)25(33(5,28)29)14-16-9-8-11-18(30-3)22(16)31-4/h6-12H,13-15H2,1-5H3