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

Systemtic Name: methyl 5-butylsulfanyl-3-(4-chlorophenyl)-4-cyano-thiophene-2-carboxylate Openeye Name: methyl 5-butylsulfanyl-3-(4-chlorophenyl)-4-cyano-thiophene-2-carboxylate CAS Name: 5-(butylthio)-3-(4-chlorophenyl)-4-cyano-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-butylsulfanyl-3-(4-chlorophenyl)-4-cyanothiophene-2-carboxylate Traditional Name: 5-(butylthio)-3-(4-chlorophenyl)-4-cyano-thiophene-2-carboxylic acid methyl ester Formula: C17H16ClNO2S2 MolecularWeight: 365.89744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=C(S1)C(=O)OC)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CCCCSC1=C(C(=C(S1)C(=O)OC)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C17H16ClNO2S2/c1-3-4-9-22-17-13(10-19)14(15(23-17)16(20)21-2)11-5-7-12(18)8-6-11/h5-8H,3-4,9H2,1-2H3