[1-(4-nitrophenyl)sulfanyl-2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] ethanoate

Systemtic Name: [1-(4-nitrophenyl)sulfanyl-2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] ethanoate Openeye Name: [1-(4-nitrophenyl)sulfanyl-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] acetate CAS Name: acetic acid [1-[(4-nitrophenyl)thio]-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [1-(4-nitrophenyl)sulfanyl-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] acetate Traditional Name: acetic acid [2-keto-1-[(4-nitrophenyl)thio]-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(OC(=O)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C(OC(=O)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-12(14-6-4-3-5-7-14)19-17(22)18(25-13(2)21)26-16-10-8-15(9-11-16)20(23)24/h3-12,18H,1-2H3,(H,19,22)/t12-,18?/m0/s1