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

Systemtic Name: ethyl 1-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(3-methylanilino)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-(3-methylanilino)-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-methylanilino)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 6-keto-1-[2-keto-2-(m-toluidino)ethyl]-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC=CC(=C2)C)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC=CC(=C2)C)SCCC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4S/c1-3-31-23(30)20-15-25-24(32-13-12-18-9-5-4-6-10-18)27(22(20)29)16-21(28)26-19-11-7-8-17(2)14-19/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,26,28)