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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-8-25-14(4)17(19(26)28-13(2)3)18(24-21(25)29)15-9-11-16(12-10-15)23-20(27)22(5,6)7/h9-13,18H,8H2,1-7H3,(H,23,27)(H,24,29)/t18-/m1/s1