ethyl 4-cyano-5-(3-cyclohexylsulfanylpropanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-(3-cyclohexylsulfanylpropanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-(3-cyclohexylsulfanylpropanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-(cyclohexylthio)-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(3-cyclohexylsulfanylpropanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-(cyclohexylthio)propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2CCCCC2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2CCCCC2)C#N)C

InChI

InChI=1S/C18H24N2O3S2/c1-3-23-18(22)16-12(2)14(11-19)17(25-16)20-15(21)9-10-24-13-7-5-4-6-8-13/h13H,3-10H2,1-2H3,(H,20,21)