ethyl 1-[2-[(3-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(3-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(3-butoxycarbonylanilino)-2-oxo-ethyl]-2-methylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-[3-[butoxy(oxo)methyl]anilino]-2-oxoethyl]-2-(methylthio)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-butoxycarbonylanilino)-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-[2-(3-butoxycarbonylanilino)-2-keto-ethyl]-6-keto-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-4-6-10-30-19(27)14-8-7-9-15(11-14)23-17(25)13-24-18(26)16(20(28)29-5-2)12-22-21(24)31-3/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,23,25)