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

Systemtic Name: methyl (6S)-4-(2-methoxy-2-oxidanylidene-ethyl)-3,6-diphenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-4-(2-methoxy-2-oxo-ethyl)-3,6-diphenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-(2-methoxy-2-oxoethyl)-3,6-diphenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-4-(2-methoxy-2-oxoethyl)-3,6-diphenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-4-(2-keto-2-methoxy-ethyl)-3,6-diphenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C([C@@H](NC(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O4S/c1-26-17(24)13-16-18(20(25)27-2)19(14-9-5-3-6-10-14)22-21(28)23(16)15-11-7-4-8-12-15/h3-12,19H,13H2,1-2H3,(H,22,28)/t19-/m0/s1