propan-2-yl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H24N2O7S/c1-14(2)31-22(26)12-17(16-5-3-4-6-18(16)24(27)28)23-21(25)13-32-15-7-8-19-20(11-15)30-10-9-29-19/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,23,25)