4-[(6S)-5-methoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate

Systemtic Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate IUPAC Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 4-[(6S)-5-carbomethoxy-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate Formula: C21H19N2O4S- MolecularWeight: 395.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(NC2=S)C3=CC=C(C=C3)C(=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C([C@@H](NC2=S)C3=CC=C(C=C3)C(=O)[O-])C(=O)OC)C

InChI

InChI=1S/C21H20N2O4S/c1-12-5-4-6-16(11-12)23-13(2)17(20(26)27-3)18(22-21(23)28)14-7-9-15(10-8-14)19(24)25/h4-11,18H,1-3H3,(H,22,28)(H,24,25)/p-1/t18-/m0/s1