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

Systemtic Name: methyl 4-[[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H20N2O5S/c1-13(16-4-3-5-17(10-16)21(24)25)27-12-18(22)20-11-14-6-8-15(9-7-14)19(23)26-2/h3-10,13H,11-12H2,1-2H3,(H,20,22)/t13-/m1/s1