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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3-methoxy-3-oxidanylidene-propyl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3-methoxy-3-oxo-propyl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3-methoxy-3-oxopropyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3-methoxy-3-oxopropyl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(3-keto-3-methoxy-propyl)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)C1=C(C(=C(S1)N)C#N)CSCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSCCC(=O)OC

InChI

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