ethyl (4R)-2-oxidanylidene-4-phenyl-6-[(phenylmethylsulfanyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-2-oxidanylidene-4-phenyl-6-[(phenylmethylsulfanyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-(benzylsulfanylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-2-oxo-4-phenyl-6-[(phenylmethylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-(benzylsulfanylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[(benzylthio)methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CC=C2)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-2-26-20(24)18-17(14-27-13-15-9-5-3-6-10-15)22-21(25)23-19(18)16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3,(H2,22,23,25)/t19-/m1/s1