methyl 3-(4-chlorophenyl)-4-cyano-5-propylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-(4-chlorophenyl)-4-cyano-5-propylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 3-(4-chlorophenyl)-4-cyano-5-propylsulfanyl-thiophene-2-carboxylate CAS Name: 3-(4-chlorophenyl)-4-cyano-5-(propylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-4-cyano-5-propylsulfanylthiophene-2-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-cyano-5-(propylthio)thiophene-2-carboxylic acid methyl ester Formula: C16H14ClNO2S2 MolecularWeight: 351.87086

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=C(S1)C(=O)OC)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CCCSC1=C(C(=C(S1)C(=O)OC)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C16H14ClNO2S2/c1-3-8-21-16-12(9-18)13(14(22-16)15(19)20-2)10-4-6-11(17)7-5-10/h4-7H,3,8H2,1-2H3