[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H20N2O6S2 MolecularWeight: 472.534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C)OC

InChI

InChI=1S/C22H20N2O6S2/c1-4-10-23-32(26,27)18-7-5-6-16(11-18)22(25)30-13-17-14-31-21(24-17)15-8-9-19(28-2)20(12-15)29-3/h1,5-9,11-12,14,23H,10,13H2,2-3H3