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

Systemtic Name: methyl 3-[6-sulfamoyl-2-(3,4,5-triethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H29N3O8S2 MolecularWeight: 551.63236

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O8S2/c1-5-33-18-12-15(13-19(34-6-2)22(18)35-7-3)23(29)26-24-27(11-10-21(28)32-4)17-9-8-16(37(25,30)31)14-20(17)36-24/h8-9,12-14H,5-7,10-11H2,1-4H3,(H2,25,30,31)