4-methyl-3-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 4-methyl-3-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 4-methyl-3-[[2-[(5-nitro-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[(5-nitro-2-pyridinyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-methyl-3-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(5-nitro-2-pyridyl)thio]acetyl]amino]benzoate Formula: C15H12N3O5S- MolecularWeight: 346.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5S/c1-9-2-3-10(15(20)21)6-12(9)17-13(19)8-24-14-5-4-11(7-16-14)18(22)23/h2-7H,8H2,1H3,(H,17,19)(H,20,21)/p-1