2-ethylsulfanylethyl (4S)-6-methyl-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S)-6-methyl-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-4-(4-benzyloxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-benzoxyphenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OCC3=CC=CC=C3)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)OCC3=CC=CC=C3)C

InChI

InChI=1S/C23H26N2O4S/c1-3-30-14-13-28-22(26)20-16(2)24-23(27)25-21(20)18-9-11-19(12-10-18)29-15-17-7-5-4-6-8-17/h4-12,21H,3,13-15H2,1-2H3,(H2,24,25,27)/t21-/m0/s1