4,5-dimethoxy-2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC

InChI

InChI=1S/C16H17N3O5S/c1-9-4-5-17-16(18-9)25-8-14(20)19-11-7-13(24-3)12(23-2)6-10(11)15(21)22/h4-7H,8H2,1-3H3,(H,19,20)(H,21,22)