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

Systemtic Name: methyl 5-[2-(4-chlorophenyl)sulfanylethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[(4-chlorophenyl)thio]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C16H13ClN2O3S2 MolecularWeight: 380.86902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C16H13ClN2O3S2/c1-9-12(7-18)15(24-14(9)16(21)22-2)19-13(20)8-23-11-5-3-10(17)4-6-11/h3-6H,8H2,1-2H3,(H,19,20)