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

Systemtic Name: 4-[2-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(6-methyl-2-thioxo-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(6-methyl-2-thioxo-1H-pyrimidin-4-yl)thio]acetyl]amino]benzoic acid Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=S)N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=S)N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13N3O3S2/c1-8-6-12(17-14(21)15-8)22-7-11(18)16-10-4-2-9(3-5-10)13(19)20/h2-6H,7H2,1H3,(H,16,18)(H,19,20)(H,15,17,21)