ethyl 5-azanyl-4-cyano-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-methylthiazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-methyl-2-thiazolyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4-methylthiazol-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C13H13N3O2S3 MolecularWeight: 339.45622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=CS2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=CS2)C

InChI

InChI=1S/C13H13N3O2S3/c1-3-18-12(17)10-9(8(4-14)11(15)21-10)6-20-13-16-7(2)5-19-13/h5H,3,6,15H2,1-2H3