methyl 4-[[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6S/c1-27-18(24)12-4-2-11(3-5-12)9-20-16(22)10-28-15-7-6-13(17(19)23)8-14(15)21(25)26/h2-8H,9-10H2,1H3,(H2,19,23)(H,20,22)