5-[(2S)-butan-2-yl]sulfanyl-3-(4-chlorophenyl)-4-cyano-thiophene-2-carboxylate

Systemtic Name: 5-[(2S)-butan-2-yl]sulfanyl-3-(4-chlorophenyl)-4-cyano-thiophene-2-carboxylate Openeye Name: 3-(4-chlorophenyl)-4-cyano-5-[(1S)-1-methylpropyl]sulfanyl-thiophene-2-carboxylate CAS Name: 5-[[(2S)-butan-2-yl]thio]-3-(4-chlorophenyl)-4-cyano-2-thiophenecarboxylate IUPAC Name: 5-[(2S)-butan-2-yl]sulfanyl-3-(4-chlorophenyl)-4-cyanothiophene-2-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-cyano-5-[[(1S)-1-methylpropyl]thio]-2-thenoate Formula: C16H13ClNO2S2- MolecularWeight: 350.86292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO2S2/c1-3-9(2)21-16-12(8-18)13(14(22-16)15(19)20)10-4-6-11(17)7-5-10/h4-7,9H,3H2,1-2H3,(H,19,20)/p-1/t9-/m0/s1