butyl 2-[(5-nitrofuran-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(5-nitrofuran-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(5-nitrofuran-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(5-nitrofuran-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-nitro-2-furoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6S/c1-2-3-8-25-16(22)10-4-5-11-13(9-10)27-17(18-11)19-15(21)12-6-7-14(26-12)20(23)24/h4-7,9H,2-3,8H2,1H3,(H,18,19,21)