methyl 5-(4-cyanophenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-(4-cyanophenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-(4-cyanophenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate CAS Name: 5-(4-cyanophenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-cyanophenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate Traditional Name: 5-(4-cyanophenyl)-3-[(2,4-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid methyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)C#N)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)C#N)C(=O)OC)C

InChI

InChI=1S/C21H18N2O4S2/c1-13-4-9-19(14(2)10-13)29(25,26)23-17-11-18(28-20(17)21(24)27-3)16-7-5-15(12-22)6-8-16/h4-11,23H,1-3H3