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

Systemtic Name: ethyl 5-azanyl-3-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[3-[(2-chlorophenyl)thio]-1-oxopropoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[3-[(2-chlorophenyl)thio]propanoyloxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H17ClN2O4S2 MolecularWeight: 424.92158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCSC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCSC2=CC=CC=C2Cl

InChI

InChI=1S/C18H17ClN2O4S2/c1-2-24-18(23)16-12(11(9-20)17(21)27-16)10-25-15(22)7-8-26-14-6-4-3-5-13(14)19/h3-6H,2,7-8,10,21H2,1H3