[2-(2-methylpropylsulfanyl)phenyl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [2-(2-methylpropylsulfanyl)phenyl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (2-isobutylsulfanylphenyl)methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [2-(2-methylpropylthio)phenyl]methyl ester IUPAC Name: [2-(2-methylpropylsulfanyl)phenyl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [2-(isobutylthio)benzyl] ester Formula: C17H22N2O2S2 MolecularWeight: 350.49878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2SCC(C)C

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2SCC(C)C

InChI

InChI=1S/C17H22N2O2S2/c1-11(2)10-23-15-7-5-4-6-13(15)9-21-16(20)14-8-18-17(22)19-12(14)3/h4-7,11H,8-10H2,1-3H3,(H2,18,19,22)