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

Systemtic Name: ethyl 3-(4-chlorophenyl)-4-cyano-5-propan-2-ylsulfanyl-thiophene-2-carboxylate Openeye Name: ethyl 3-(4-chlorophenyl)-4-cyano-5-isopropylsulfanyl-thiophene-2-carboxylate CAS Name: 3-(4-chlorophenyl)-4-cyano-5-(propan-2-ylthio)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-4-cyano-5-propan-2-ylsulfanylthiophene-2-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-cyano-5-(isopropylthio)thiophene-2-carboxylic acid ethyl ester Formula: C17H16ClNO2S2 MolecularWeight: 365.89744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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