ethyl 5-azanyl-4-cyano-3-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2-ethoxy-2-oxo-ethyl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2-ethoxy-2-oxoethyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(2-ethoxy-2-keto-ethyl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=C(SC(=C1C#N)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)CSCC1=C(SC(=C1C#N)N)C(=O)OCC

InChI

InChI=1S/C13H16N2O4S2/c1-3-18-10(16)7-20-6-9-8(5-14)12(15)21-11(9)13(17)19-4-2/h3-4,6-7,15H2,1-2H3