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

Systemtic Name: 4-[5-ethoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid Openeye Name: 4-[5-ethoxycarbonyl-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid CAS Name: 4-[5-ethoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid IUPAC Name: 4-[5-ethoxycarbonyl-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid Traditional Name: 4-[5-carbethoxy-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)C(=O)O)C3=CC=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)C(=O)O)C3=CC=CC(=C3)C)C

InChI

InChI=1S/C22H22N2O4S/c1-4-28-21(27)18-14(3)24(17-7-5-6-13(2)12-17)22(29)23-19(18)15-8-10-16(11-9-15)20(25)26/h5-12,19H,4H2,1-3H3,(H,23,29)(H,25,26)