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

Systemtic Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid Openeye Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid CAS Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid IUPAC Name: 4-[(6S)-5-methoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid Traditional Name: 4-[(6S)-5-carbomethoxy-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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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)/t18-/m0/s1