2-chloranyl-4-[2-(4-methyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 2-chloranyl-4-[2-(4-methyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 2-chloro-4-[[2-(4-methyl-6-oxido-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-chloro-4-[[2-[(4-methyl-6-oxido-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 2-chloro-4-[[2-(4-methyl-6-oxidopyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-chloro-4-[[2-[(4-methyl-6-oxido-pyrimidin-2-yl)thio]acetyl]amino]benzoate Formula: C14H10ClN3O4S-2 MolecularWeight: 351.7649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)C(=O)[O-])Cl)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)C(=O)[O-])Cl)[O-]

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)/p-2