(4-nitrophenyl)methyl (2R)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (4-nitrophenyl)methyl (2R)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (4-nitrophenyl)methyl (2R)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2R)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2R)-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionic acid (4-nitrobenzyl) ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS[C@H](C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-13-3-7-16(8-4-13)20-18(22)12-27-14(2)19(23)26-11-15-5-9-17(10-6-15)21(24)25/h3-10,14H,11-12H2,1-2H3,(H,20,22)/t14-/m1/s1