[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-15(7-8-16-5-3-2-4-6-16)21-19(23)13-27-20(24)14-28-18-11-9-17(10-12-18)22(25)26/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,21,23)/t15-/m1/s1