2-chloranyl-4-[2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-chloro-4-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-4-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-chloro-4-[[2-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C15H14ClN3O4S MolecularWeight: 367.80736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)NC2=CC(=C(C=C2)C(=O)O)Cl)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)NC2=CC(=C(C=C2)C(=O)O)Cl)C

InChI

InChI=1S/C15H14ClN3O4S/c1-7-8(2)17-15(19-13(7)21)24-6-12(20)18-9-3-4-10(14(22)23)11(16)5-9/h3-5H,6H2,1-2H3,(H,18,20)(H,22,23)(H,17,19,21)