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

Systemtic Name: ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCCC3=CC=CC=C32)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCCC3=CC=CC=C32)SCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S/c1-2-32-24(31)20-15-26-25(33-17-18-9-4-3-5-10-18)28(23(20)30)16-22(29)27-14-8-12-19-11-6-7-13-21(19)27/h3-7,9-11,13,15H,2,8,12,14,16-17H2,1H3