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

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-(4-keto-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)acetamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(C2=CC=CC=C2S1)CC(=O)NC3=C(C=CC(=C3)OC)OC)C

Isomeric SMILES

CC1(CC(=O)N(C2=CC=CC=C2S1)CC(=O)NC3=C(C=CC(=C3)OC)OC)C

InChI

InChI=1S/C21H24N2O4S/c1-21(2)12-20(25)23(16-7-5-6-8-18(16)28-21)13-19(24)22-15-11-14(26-3)9-10-17(15)27-4/h5-11H,12-13H2,1-4H3,(H,22,24)