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

Systemtic Name: ethyl 5-[(2S)-butan-2-yl]sulfanyl-3-(4-chlorophenyl)-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 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-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 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]thiophene-2-carboxylic acid ethyl ester Formula: C18H18ClNO2S2 MolecularWeight: 379.92402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C(=C(S1)C(=O)OCC)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO2S2/c1-4-11(3)23-18-14(10-20)15(12-6-8-13(19)9-7-12)16(24-18)17(21)22-5-2/h6-9,11H,4-5H2,1-3H3/t11-/m0/s1