2-chloranyl-4-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-chloro-4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-chloro-4-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C14H12ClN3O4S MolecularWeight: 353.78078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C14H12ClN3O4S/c1-7-4-11(19)18-14(16-7)23-6-12(20)17-8-2-3-9(13(21)22)10(15)5-8/h2-5H,6H2,1H3,(H,17,20)(H,21,22)(H,16,18,19)