tert-butyl (4S)-4-[2,3-bis(chloranyl)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl (4S)-4-[2,3-bis(chloranyl)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl (4S)-4-(2,3-dichlorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,3-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-(2,3-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,3-dichlorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C16H18Cl2N2O2S MolecularWeight: 373.29732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C(=CC=C2)Cl)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=C(C(=CC=C2)Cl)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H18Cl2N2O2S/c1-8-11(14(21)22-16(2,3)4)13(20-15(23)19-8)9-6-5-7-10(17)12(9)18/h5-7,13H,1-4H3,(H2,19,20,23)/t13-/m1/s1