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

Systemtic Name: ethyl 6-oxidanylidene-1-[2-oxidanylidene-2-[(4-propoxycarbonylphenyl)amino]ethyl]-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 6-oxo-1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 6-oxo-1-[2-oxo-2-[4-[oxo(propoxy)methyl]anilino]ethyl]-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-oxo-1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 6-keto-1-[2-keto-2-(4-propoxycarbonylanilino)ethyl]-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O6S/c1-3-15-36-25(33)20-10-12-21(13-11-20)29-23(31)18-30-24(32)22(26(34)35-4-2)17-28-27(30)37-16-14-19-8-6-5-7-9-19/h5-13,17H,3-4,14-16,18H2,1-2H3,(H,29,31)