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

Systemtic Name: ethyl (6R)-6-[3-(3,3-dimethylbutanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-6-[3-(3,3-dimethylbutanoylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-[3-(3,3-dimethylbutanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[3-(3,3-dimethylbutanoylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)CC(C)(C)C)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C([C@H](NC1=S)C2=CC(=CC=C2)NC(=O)CC(C)(C)C)C(=O)OCC)C

InChI

InChI=1S/C22H31N3O3S/c1-7-25-14(3)18(20(27)28-8-2)19(24-21(25)29)15-10-9-11-16(12-15)23-17(26)13-22(4,5)6/h9-12,19H,7-8,13H2,1-6H3,(H,23,26)(H,24,29)/t19-/m1/s1