propyl 4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzoate Openeye Name: propyl 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]benzoic acid propyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H18N2O4S/c1-2-11-23-17(21)13-6-8-14(9-7-13)18-15(20)12-24-16-5-3-4-10-19(16)22/h3-10H,2,11-12H2,1H3,(H,18,20)