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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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