2-methoxy-5-[[2-(2-nitrophenyl)sulfanylethanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-(2-nitrophenyl)sulfanylethanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-(2-nitrophenyl)sulfanylacetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-[(2-nitrophenyl)thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-(2-nitrophenyl)sulfanylacetyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-[(2-nitrophenyl)thio]acetyl]amino]methyl]benzoic acid Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H16N2O6S/c1-25-14-7-6-11(8-12(14)17(21)22)9-18-16(20)10-26-15-5-3-2-4-13(15)19(23)24/h2-8H,9-10H2,1H3,(H,18,20)(H,21,22)