methyl (6R)-3,4-dimethyl-6-[3-(2-phenylethanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3,4-dimethyl-6-[3-(2-phenylethanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3,4-dimethyl-6-[3-[(2-phenylacetyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3,4-dimethyl-6-[3-[(1-oxo-2-phenylethyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3,4-dimethyl-6-[3-[(2-phenylacetyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3,4-dimethyl-6-[3-[(2-phenylacetyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C)C2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O3S/c1-14-19(21(27)28-3)20(24-22(29)25(14)2)16-10-7-11-17(13-16)23-18(26)12-15-8-5-4-6-9-15/h4-11,13,20H,12H2,1-3H3,(H,23,26)(H,24,29)/t20-/m1/s1