ethyl 3-[2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)ethanoyl-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)ethanoyl-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[[2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetyl]-methylsulfonyl-amino]benzoate CAS Name: 3-[[2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-1-oxoethyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetyl]-methylsulfonylamino]benzoate Traditional Name: 3-[[2-(4-keto-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)acetyl]-mesyl-amino]benzoic acid ethyl ester Formula: C23H26N2O6S2 MolecularWeight: 490.59234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CN2C(=O)CC(SC3=CC=CC=C32)(C)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CN2C(=O)CC(SC3=CC=CC=C32)(C)C)S(=O)(=O)C

InChI

InChI=1S/C23H26N2O6S2/c1-5-31-22(28)16-9-8-10-17(13-16)25(33(4,29)30)21(27)15-24-18-11-6-7-12-19(18)32-23(2,3)14-20(24)26/h6-13H,5,14-15H2,1-4H3