methyl 2-[2-(4-chlorophenyl)sulfanylethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-chlorophenyl)sulfanylethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-chlorophenyl)thio]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H18ClNO3S2 MolecularWeight: 431.95552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClNO3S2/c1-13-18(14-6-4-3-5-7-14)19(21(25)26-2)20(28-13)23-17(24)12-27-16-10-8-15(22)9-11-16/h3-11H,12H2,1-2H3,(H,23,24)