[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-nitrophenyl)thio]propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-nitrophenyl)thio]propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)[C@H](C)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O5S/c1-4-12(5-2)17-15(19)10-23-16(20)11(3)24-14-8-6-13(7-9-14)18(21)22/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,19)/t11-/m0/s1