ethyl 4-(4-methoxyphenyl)-2-oxidanylidene-6-(quinolin-2-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-oxidanylidene-6-(quinolin-2-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-oxo-6-(2-quinolylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-oxo-6-[(2-quinolinylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-oxo-6-(quinolin-2-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(4-methoxyphenyl)-6-[(2-quinolylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H23N3O4S/c1-3-31-23(28)21-19(14-32-20-13-10-15-6-4-5-7-18(15)25-20)26-24(29)27-22(21)16-8-11-17(30-2)12-9-16/h4-13,22H,3,14H2,1-2H3,(H2,26,27,29)