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

Systemtic Name: ethyl 3-[6-sulfamoyl-2-(3,4,5-triethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-sulfamoyl-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo-(3,4,5-triethoxyphenyl)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-sulfamoyl-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-sulfamoyl-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C25H31N3O8S2 MolecularWeight: 565.65894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OCC

InChI

InChI=1S/C25H31N3O8S2/c1-5-33-19-13-16(14-20(34-6-2)23(19)36-8-4)24(30)27-25-28(12-11-22(29)35-7-3)18-10-9-17(38(26,31)32)15-21(18)37-25/h9-10,13-15H,5-8,11-12H2,1-4H3,(H2,26,31,32)