ethyl 4-cyano-3-methyl-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[3-(p-tolylsulfanyl)propanoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[3-(p-tolylthio)propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=C(C=C2)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=C(C=C2)C)C#N)C

InChI

InChI=1S/C19H20N2O3S2/c1-4-24-19(23)17-13(3)15(11-20)18(26-17)21-16(22)9-10-25-14-7-5-12(2)6-8-14/h5-8H,4,9-10H2,1-3H3,(H,21,22)