methyl 3-[6-sulfamoyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-sulfamoyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-sulfamoyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo-(3,4,5-trimethoxyphenyl)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-sulfamoyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-sulfamoyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H23N3O8S2 MolecularWeight: 509.55262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OC

InChI

InChI=1S/C21H23N3O8S2/c1-29-15-9-12(10-16(30-2)19(15)32-4)20(26)23-21-24(8-7-18(25)31-3)14-6-5-13(34(22,27)28)11-17(14)33-21/h5-6,9-11H,7-8H2,1-4H3,(H2,22,27,28)