methyl (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(3,4-dimethoxyphenyl)propanoate CAS Name: (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: (3S)-3-(3,4-dimethoxyphenyl)-3-(piazthiol-4-ylsulfonylamino)propionic acid methyl ester Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NS(=O)(=O)C2=CC=CC3=NSN=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC(=O)OC)NS(=O)(=O)C2=CC=CC3=NSN=C32)OC

InChI

InChI=1S/C18H19N3O6S2/c1-25-14-8-7-11(9-15(14)26-2)13(10-17(22)27-3)21-29(23,24)16-6-4-5-12-18(16)20-28-19-12/h4-9,13,21H,10H2,1-3H3/t13-/m0/s1