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

Systemtic Name: propan-2-yl 3-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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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)C3SCCCS3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C23H26N2O5S2/c1-15(2)30-21(26)14-19(18-6-3-4-7-20(18)25(28)29)24-22(27)16-8-10-17(11-9-16)23-31-12-5-13-32-23/h3-4,6-11,15,19,23H,5,12-14H2,1-2H3,(H,24,27)