propan-2-yl 2-[[5-(3-nitrophenyl)furan-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[[5-(3-nitrophenyl)furan-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[5-(3-nitrophenyl)-2-furoyl]amino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C22H17N3O6S MolecularWeight: 451.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O6S/c1-12(2)30-21(27)14-6-7-16-19(11-14)32-22(23-16)24-20(26)18-9-8-17(31-18)13-4-3-5-15(10-13)25(28)29/h3-12H,1-2H3,(H,23,24,26)