propyl 4-[2-(4-nitrophenyl)sulfanylethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(4-nitrophenyl)sulfanylethanoylamino]benzoate Openeye Name: propyl 4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-nitrophenyl)thio]acetyl]amino]benzoic acid propyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-2-11-25-18(22)13-3-5-14(6-4-13)19-17(21)12-26-16-9-7-15(8-10-16)20(23)24/h3-10H,2,11-12H2,1H3,(H,19,21)