ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[(5-nitro-2-furanyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-(5-nitro-2-furoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H17N3O8S MolecularWeight: 447.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O8S/c1-3-28-16(23)10-21-12-6-5-11(18(25)29-4-2)9-14(12)31-19(21)20-17(24)13-7-8-15(30-13)22(26)27/h5-9H,3-4,10H2,1-2H3