methyl 4-[(2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonylamino]benzoate

Systemtic Name: methyl 4-[(2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonylamino]benzoate Openeye Name: methyl 4-[(2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonylamino]benzoate CAS Name: 4-[(2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonylamino]benzoate Traditional Name: 4-[(4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonylamino]benzoic acid methyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18N2O5S2/c1-11-9-17(21)19-15-10-14(7-8-16(15)26-11)27(23,24)20-13-5-3-12(4-6-13)18(22)25-2/h3-8,10-11,20H,9H2,1-2H3,(H,19,21)