methyl 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonyl-thiophene-2-carboxylate Openeye Name: methyl 4-[4-(4-chlorophenyl)thiazol-2-yl]-5-methylsulfonyl-thiophene-2-carboxylate CAS Name: 4-[4-(4-chlorophenyl)-2-thiazolyl]-5-methylsulfonyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylthiophene-2-carboxylate Traditional Name: 4-[4-(4-chlorophenyl)thiazol-2-yl]-5-mesyl-thiophene-2-carboxylic acid methyl ester Formula: C16H12ClNO4S3 MolecularWeight: 413.91878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)S(=O)(=O)C)C2=NC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(S1)S(=O)(=O)C)C2=NC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClNO4S3/c1-22-15(19)13-7-11(16(24-13)25(2,20)21)14-18-12(8-23-14)9-3-5-10(17)6-4-9/h3-8H,1-2H3