4-[[5-aminocarbonyl-4-[2,3-bis(chloranyl)phenyl]-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[5-aminocarbonyl-4-[2,3-bis(chloranyl)phenyl]-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-carbamoyl-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-carbamoyl-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyrimidin-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-carbamoyl-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-carbamoyl-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyrimidin-2-yl]thio]methyl]benzoic acid Formula: C20H17Cl2N3O3S MolecularWeight: 450.33828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)C(=O)O)C3=C(C(=CC=C3)Cl)Cl)C(=O)N

Isomeric SMILES

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)C(=O)O)C3=C(C(=CC=C3)Cl)Cl)C(=O)N

InChI

InChI=1S/C20H17Cl2N3O3S/c1-10-15(18(23)26)17(13-3-2-4-14(21)16(13)22)25-20(24-10)29-9-11-5-7-12(8-6-11)19(27)28/h2-8,17H,9H2,1H3,(H2,23,26)(H,24,25)(H,27,28)