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

Systemtic Name: 4-[(6S)-3-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid Openeye Name: 4-[(6S)-3-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid CAS Name: 4-[(6S)-3-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid IUPAC Name: 4-[(6S)-3-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid Traditional Name: 4-[(6S)-5-carbomethoxy-3-(4-chlorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)O)C(=O)OC

InChI

InChI=1S/C20H17ClN2O4S/c1-11-16(19(26)27-2)17(12-3-5-13(6-4-12)18(24)25)22-20(28)23(11)15-9-7-14(21)8-10-15/h3-10,17H,1-2H3,(H,22,28)(H,24,25)/t17-/m0/s1