methyl 4-[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H18N2O5S/c1-12(14-4-3-5-16(10-14)20(23)24)26-11-17(21)19-15-8-6-13(7-9-15)18(22)25-2/h3-10,12H,11H2,1-2H3,(H,19,21)/t12-/m1/s1