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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C15H20N2O5S MolecularWeight: 340.3947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5S/c1-3-11(4-2)16-14(18)9-22-15(19)10-23-13-7-5-12(6-8-13)17(20)21/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18)