2-ethylsulfanylethyl (6S)-3,4-dimethyl-2-oxidanylidene-6-(4-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (6S)-3,4-dimethyl-2-oxidanylidene-6-(4-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (6S)-6-(4-benzyloxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-2-oxo-6-(4-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (6S)-3,4-dimethyl-2-oxo-6-(4-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-benzoxyphenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/c1-4-31-15-14-29-23(27)21-17(2)26(3)24(28)25-22(21)19-10-12-20(13-11-19)30-16-18-8-6-5-7-9-18/h5-13,22H,4,14-16H2,1-3H3,(H,25,28)/t22-/m0/s1