ethyl 2-chloranyl-5-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-chloro-5-[[2-[(5-nitro-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-[(5-nitro-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[(5-nitro-2-pyridyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C16H14ClN3O5S MolecularWeight: 395.81746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O5S/c1-2-25-16(22)12-7-10(3-5-13(12)17)19-14(21)9-26-15-6-4-11(8-18-15)20(23)24/h3-8H,2,9H2,1H3,(H,19,21)