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

Systemtic Name: 4,5-dimethoxy-2-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC

InChI

InChI=1S/C16H17N3O6S/c1-8-4-13(20)19-16(17-8)26-7-14(21)18-10-6-12(25-3)11(24-2)5-9(10)15(22)23/h4-6H,7H2,1-3H3,(H,18,21)(H,22,23)(H,17,19,20)