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

Systemtic Name: methyl 4-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6S/c1-26-17(23)10-2-5-12(6-3-10)19-15(21)9-27-14-7-4-11(16(18)22)8-13(14)20(24)25/h2-8H,9H2,1H3,(H2,18,22)(H,19,21)