ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCCC3=CC=CC=C32)SCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCCC3=CC=CC=C32)SCCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4S/c1-2-33-25(32)21-17-27-26(34-16-14-19-9-4-3-5-10-19)29(24(21)31)18-23(30)28-15-8-12-20-11-6-7-13-22(20)28/h3-7,9-11,13,17H,2,8,12,14-16,18H2,1H3