methyl 4-[(4R)-5-ethanoyl-6-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[(4R)-5-ethanoyl-6-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[(4R)-5-acetyl-6-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[(4R)-5-acetyl-6-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4R)-5-acetyl-6-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[(4R)-5-acetyl-6-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CC=C(C=C3)C(=O)OC)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C([C@H](NC(=S)N2)C3=CC=C(C=C3)C(=O)OC)C(=O)C

InChI

InChI=1S/C21H20N2O3S/c1-12-4-6-14(7-5-12)18-17(13(2)24)19(23-21(27)22-18)15-8-10-16(11-9-15)20(25)26-3/h4-11,19H,1-3H3,(H2,22,23,27)/t19-/m1/s1