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

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

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OC)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OC)NC1=O

InChI

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