ethyl 1-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-(4-carbethoxyanilino)-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C26H27N3O6S MolecularWeight: 509.57408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O6S/c1-3-34-24(32)19-10-12-20(13-11-19)28-22(30)17-29-23(31)21(25(33)35-4-2)16-27-26(29)36-15-14-18-8-6-5-7-9-18/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,28,30)