[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(2-methoxyethylamino)-2-oxo-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid [2-(2-methoxyethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylamino)-2-oxoethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid [2-keto-2-(2-methoxyethylamino)ethyl] ester Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCCOC)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCCOC)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6S/c1-10(14(18)22-9-13(17)15-7-8-21-2)23-12-5-3-11(4-6-12)16(19)20/h3-6,10H,7-9H2,1-2H3,(H,15,17)/t10-/m1/s1