methyl 4-cyano-3-methyl-5-(2-phenylsulfanylethanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-(2-phenylsulfanylethanoylamino)thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[(2-phenylsulfanylacetyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-(phenylthio)ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[(2-phenylsulfanylacetyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(phenylthio)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CSC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CSC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H14N2O3S2/c1-10-12(8-17)15(23-14(10)16(20)21-2)18-13(19)9-22-11-6-4-3-5-7-11/h3-7H,9H2,1-2H3,(H,18,19)