propan-2-yl 3-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C22H24N2O5S2/c1-14(2)29-20(25)13-18(17-5-3-4-6-19(17)24(27)28)23-21(26)15-7-9-16(10-8-15)22-30-11-12-31-22/h3-10,14,18,22H,11-13H2,1-2H3,(H,23,26)