ethyl 1-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(4-ethoxyanilino)-2-oxo-ethyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(4-ethoxyanilino)-2-oxoethyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-ethoxyanilino)-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 6-keto-1-[2-keto-2-(p-phenetidino)ethyl]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CN=C2SC)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CN=C2SC)C(=O)OCC

InChI

InChI=1S/C18H21N3O5S/c1-4-25-13-8-6-12(7-9-13)20-15(22)11-21-16(23)14(17(24)26-5-2)10-19-18(21)27-3/h6-10H,4-5,11H2,1-3H3,(H,20,22)