ethyl 5-azanyl-4-cyano-3-[2-(thiophen-2-ylmethylsulfanyl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(thiophen-2-ylmethylsulfanyl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(2-thienylmethylsulfanyl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-(thiophen-2-ylmethylthio)ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(2-thenylthio)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H16N2O4S3 MolecularWeight: 396.50424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSCC2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSCC2=CC=CS2

InChI

InChI=1S/C16H16N2O4S3/c1-2-21-16(20)14-12(11(6-17)15(18)25-14)7-22-13(19)9-23-8-10-4-3-5-24-10/h3-5H,2,7-9,18H2,1H3