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

Systemtic Name: 3-(4-chlorophenyl)-4-cyano-5-propan-2-ylsulfanyl-thiophene-2-carboxylate Openeye Name: 3-(4-chlorophenyl)-4-cyano-5-isopropylsulfanyl-thiophene-2-carboxylate CAS Name: 3-(4-chlorophenyl)-4-cyano-5-(propan-2-ylthio)-2-thiophenecarboxylate IUPAC Name: 3-(4-chlorophenyl)-4-cyano-5-propan-2-ylsulfanylthiophene-2-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-cyano-5-(isopropylthio)-2-thenoate Formula: C15H11ClNO2S2- MolecularWeight: 336.83634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C(=C(S1)C(=O)[O-])C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CC(C)SC1=C(C(=C(S1)C(=O)[O-])C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C15H12ClNO2S2/c1-8(2)20-15-11(7-17)12(13(21-15)14(18)19)9-3-5-10(16)6-4-9/h3-6,8H,1-2H3,(H,18,19)/p-1