methyl 4-chloranyl-3-[2-(4-nitrophenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-(4-nitrophenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[(4-nitrophenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H13ClN2O5S MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O5S/c1-24-16(21)10-2-7-13(17)14(8-10)18-15(20)9-25-12-5-3-11(4-6-12)19(22)23/h2-8H,9H2,1H3,(H,18,20)