3-(4-methylsulfanylphenyl)propyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-(4-methylsulfanylphenyl)propyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(4-methylsulfanylphenyl)propyl 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 3-[4-(methylthio)phenyl]propyl ester IUPAC Name: 3-(4-methylsulfanylphenyl)propyl 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 3-[4-(methylthio)phenyl]propyl ester Formula: C16H20N2O2S2 MolecularWeight: 336.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCCCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCCCC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H20N2O2S2/c1-11-14(10-17-16(21)18-11)15(19)20-9-3-4-12-5-7-13(22-2)8-6-12/h5-8H,3-4,9-10H2,1-2H3,(H2,17,18,21)