ethyl 5-azanyl-4-cyano-3-[3-(4-methylphenyl)sulfanylpropanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[3-(4-methylphenyl)sulfanylpropanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[3-(p-tolylsulfanyl)propanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-[(4-methylphenyl)thio]-1-oxopropoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[3-(4-methylphenyl)sulfanylpropanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[3-(p-tolylthio)propanoyloxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S2/c1-3-24-19(23)17-15(14(10-20)18(21)27-17)11-25-16(22)8-9-26-13-6-4-12(2)5-7-13/h4-7H,3,8-9,11,21H2,1-2H3