4-[2,3-bis(chloranyl)phenyl]-6-methyl-3-propanoyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-[2,3-bis(chloranyl)phenyl]-6-methyl-3-propanoyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(2,3-dichlorophenyl)-6-methyl-3-propanoyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(2,3-dichlorophenyl)-6-methyl-3-(1-oxopropyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(2,3-dichlorophenyl)-6-methyl-3-propanoyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(2,3-dichlorophenyl)-6-methyl-3-propionyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C15H14Cl2N2O3S MolecularWeight: 373.25426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C(=C(NC1=S)C)C(=O)O)C2=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

CCC(=O)N1C(C(=C(NC1=S)C)C(=O)O)C2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C15H14Cl2N2O3S/c1-3-10(20)19-13(8-5-4-6-9(16)12(8)17)11(14(21)22)7(2)18-15(19)23/h4-6,13H,3H2,1-2H3,(H,18,23)(H,21,22)