ethyl 5-azanyl-4-cyano-3-[[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]amino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C19H22N4O3S2/c1-4-26-19(25)17-13(12(9-20)18(21)28-17)10-23(2)11-16(24)22-14-7-5-6-8-15(14)27-3/h5-8H,4,10-11,21H2,1-3H3,(H,22,24)