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

Systemtic Name: [2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C)OC

InChI

InChI=1S/C23H22N2O6S2/c1-4-12-24-33(27,28)19-9-6-16(7-10-19)23(26)31-14-18-15-32-22(25-18)17-8-11-20(30-5-2)21(13-17)29-3/h1,6-11,13,15,24H,5,12,14H2,2-3H3