ethyl (6S)-6-(4-imidazol-1-ylphenyl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-6-(4-imidazol-1-ylphenyl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-6-(4-imidazol-1-ylphenyl)-3-(4-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-[4-(1-imidazolyl)phenyl]-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(4-imidazol-1-ylphenyl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-imidazol-1-ylphenyl)-3-(4-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)N3C=CN=C3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC=C(C=C2)N3C=CN=C3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C24H24N4O3S/c1-4-31-23(29)21-16(2)28(19-9-11-20(30-3)12-10-19)24(32)26-22(21)17-5-7-18(8-6-17)27-14-13-25-15-27/h5-15,22H,4H2,1-3H3,(H,26,32)/t22-/m0/s1