[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)COC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O5S/c1-10(2)7-15-13(17)8-21-14(18)9-22-12-5-3-11(4-6-12)16(19)20/h3-6,10H,7-9H2,1-2H3,(H,15,17)