methyl 3-azanyl-4-cyano-5-(phenylmethylsulfanyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-cyano-5-(phenylmethylsulfanyl)thiophene-2-carboxylate Openeye Name: methyl 3-amino-5-benzylsulfanyl-4-cyano-thiophene-2-carboxylate CAS Name: 3-amino-4-cyano-5-(phenylmethylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-benzylsulfanyl-4-cyanothiophene-2-carboxylate Traditional Name: 3-amino-5-(benzylthio)-4-cyano-thiophene-2-carboxylic acid methyl ester Formula: C14H12N2O2S2 MolecularWeight: 304.38728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(S1)SCC2=CC=CC=C2)C#N)N

Isomeric SMILES

COC(=O)C1=C(C(=C(S1)SCC2=CC=CC=C2)C#N)N

InChI

InChI=1S/C14H12N2O2S2/c1-18-13(17)12-11(16)10(7-15)14(20-12)19-8-9-5-3-2-4-6-9/h2-6H,8,16H2,1H3