ethyl 3-(4-chlorophenyl)-4-cyano-5-(2-methylpropylsulfanyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)-4-cyano-5-(2-methylpropylsulfanyl)thiophene-2-carboxylate Openeye Name: ethyl 3-(4-chlorophenyl)-4-cyano-5-isobutylsulfanyl-thiophene-2-carboxylate CAS Name: 3-(4-chlorophenyl)-4-cyano-5-(2-methylpropylthio)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-4-cyano-5-(2-methylpropylsulfanyl)thiophene-2-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-cyano-5-(isobutylthio)thiophene-2-carboxylic acid ethyl ester Formula: C18H18ClNO2S2 MolecularWeight: 379.92402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SCC(C)C)C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SCC(C)C)C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO2S2/c1-4-22-17(21)16-15(12-5-7-13(19)8-6-12)14(9-20)18(24-16)23-10-11(2)3/h5-8,11H,4,10H2,1-3H3