ethyl (6S)-6-(3-methoxy-4-oxidanyl-phenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-6-(3-methoxy-4-oxidanyl-phenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(4-hydroxy-3-methoxy-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-hydroxy-3-methoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(4-hydroxy-3-methoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-hydroxy-3-methoxy-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2)O)OC)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-4-27-20(25)18-13(2)23(15-8-6-5-7-9-15)21(28)22-19(18)14-10-11-16(24)17(12-14)26-3/h5-12,19,24H,4H2,1-3H3,(H,22,28)/t19-/m0/s1