propan-2-yl 3-(2-nitrophenyl)-3-(4-phenylsulfanylbutanoylamino)propanoate

Systemtic Name: propan-2-yl 3-(2-nitrophenyl)-3-(4-phenylsulfanylbutanoylamino)propanoate Openeye Name: isopropyl 3-(2-nitrophenyl)-3-(4-phenylsulfanylbutanoylamino)propanoate CAS Name: 3-(2-nitrophenyl)-3-[[1-oxo-4-(phenylthio)butyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-nitrophenyl)-3-(4-phenylsulfanylbutanoylamino)propanoate Traditional Name: 3-(2-nitrophenyl)-3-[4-(phenylthio)butanoylamino]propionic acid isopropyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5S/c1-16(2)29-22(26)15-19(18-11-6-7-12-20(18)24(27)28)23-21(25)13-8-14-30-17-9-4-3-5-10-17/h3-7,9-12,16,19H,8,13-15H2,1-2H3,(H,23,25)