N-(2,2-diethoxyethyl)-2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)propanamide

Systemtic Name: N-(2,2-diethoxyethyl)-2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)propanamide Openeye Name: N-(2,2-diethoxyethyl)-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)propanamide CAS Name: N-(2,2-diethoxyethyl)-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)propanamide IUPAC Name: N-(2,2-diethoxyethyl)-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)propanamide Traditional Name: N-(2,2-diethoxyethyl)-2-(4-keto-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)propionamide Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC(=O)C(C)N1C(=O)CC(SC2=CC=CC=C21)(C)C)OCC

Isomeric SMILES

CCOC(CNC(=O)C(C)N1C(=O)CC(SC2=CC=CC=C21)(C)C)OCC

InChI

InChI=1S/C20H30N2O4S/c1-6-25-18(26-7-2)13-21-19(24)14(3)22-15-10-8-9-11-16(15)27-20(4,5)12-17(22)23/h8-11,14,18H,6-7,12-13H2,1-5H3,(H,21,24)