[(2R)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [(1R)-1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [(2R)-1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [(1R)-2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c1-14(21(25)22-19-8-4-6-15-5-2-3-7-18(15)19)28-20(24)13-29-17-11-9-16(10-12-17)23(26)27/h2-12,14H,13H2,1H3,(H,22,25)/t14-/m1/s1