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

Systemtic Name: ethyl 1-[2-[(3-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(3-butoxycarbonylanilino)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-[3-[butoxy(oxo)methyl]anilino]-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-butoxycarbonylanilino)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-(3-butoxycarbonylanilino)-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C28H31N3O6S MolecularWeight: 537.62724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C(=CN=C2SCCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C(=CN=C2SCCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C28H31N3O6S/c1-3-5-15-37-26(34)21-12-9-13-22(17-21)30-24(32)19-31-25(33)23(27(35)36-4-2)18-29-28(31)38-16-14-20-10-7-6-8-11-20/h6-13,17-18H,3-5,14-16,19H2,1-2H3,(H,30,32)