ethyl 5-azanyl-4-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(4,5-dihydrothiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(4,5-dihydrothiazol-2-ylthio)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2-thiazolin-2-ylthio)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C12H13N3O2S3 MolecularWeight: 327.44552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NCCS2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NCCS2

InChI

InChI=1S/C12H13N3O2S3/c1-2-17-11(16)9-8(7(5-13)10(14)20-9)6-19-12-15-3-4-18-12/h2-4,6,14H2,1H3