[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-15(2)21(12-16-6-4-3-5-7-16)19(23)13-27-20(24)14-28-18-10-8-17(9-11-18)22(25)26/h3-11,15H,12-14H2,1-2H3