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

Systemtic Name: ethyl 2-[[5-(2-nitrophenyl)furan-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[5-(2-nitrophenyl)-2-furanyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[5-(2-nitrophenyl)-2-furoyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H15N3O6S MolecularWeight: 437.4253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C21H15N3O6S/c1-2-29-20(26)12-7-8-14-18(11-12)31-21(22-14)23-19(25)17-10-9-16(30-17)13-5-3-4-6-15(13)24(27)28/h3-11H,2H2,1H3,(H,22,23,25)