2-methoxy-5-[[2-(4-nitrophenyl)sulfanylethanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-(4-nitrophenyl)sulfanylethanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-(4-nitrophenyl)sulfanylacetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-(4-nitrophenyl)sulfanylacetyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-[(4-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=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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