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

Systemtic Name: 2-methoxyethyl (6R)-6-[3-(2,2-dimethylpropanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-6-[3-(2,2-dimethylpropanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-6-[3-(2,2-dimethylpropanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3,4-dimethyl-6-[3-(pivaloylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C(C)(C)C)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C(C)(C)C)C(=O)OCCOC

InChI

InChI=1S/C21H29N3O4S/c1-13-16(18(25)28-11-10-27-6)17(23-20(29)24(13)5)14-8-7-9-15(12-14)22-19(26)21(2,3)4/h7-9,12,17H,10-11H2,1-6H3,(H,22,26)(H,23,29)/t17-/m1/s1