ethyl 5-azanyl-4-cyano-3-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2,3,5,6-tetramethylphenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(2,3,5,6-tetramethylphenyl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=C(C(=CC(=C2C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=C(C(=CC(=C2C)C)C)C

InChI

InChI=1S/C19H22N2O2S2/c1-6-23-19(22)17-15(14(8-20)18(21)25-17)9-24-16-12(4)10(2)7-11(3)13(16)5/h7H,6,9,21H2,1-5H3