propan-2-yl 3-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[2-(5-methyl-2-furyl)thiazole-4-carbonyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[[2-(5-methyl-2-furanyl)-4-thiazolyl]-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[2-(5-methyl-2-furyl)thiazole-4-carbonyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=CS2)C(=O)NC(CC(=O)OC(C)C)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=CS2)C(=O)NC(CC(=O)OC(C)C)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6S/c1-12(2)29-19(25)10-15(14-6-4-5-7-17(14)24(27)28)22-20(26)16-11-31-21(23-16)18-9-8-13(3)30-18/h4-9,11-12,15H,10H2,1-3H3,(H,22,26)