ethyl 1-[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-(2-ethoxycarbonylanilino)-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-[2-(2-carbethoxyanilino)-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C(=CN=C2SCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C(=CN=C2SCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H25N3O6S/c1-3-33-23(31)18-12-8-9-13-20(18)27-21(29)15-28-22(30)19(24(32)34-4-2)14-26-25(28)35-16-17-10-6-5-7-11-17/h5-14H,3-4,15-16H2,1-2H3,(H,27,29)