ethyl 2-[2-[(7-ethoxy-1-benzofuran-2-yl)carbonylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(7-ethoxy-1-benzofuran-2-yl)carbonylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(7-ethoxybenzofuran-2-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(7-ethoxy-2-benzofuranyl)-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(7-ethoxy-1-benzofuran-2-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(7-ethoxybenzofuran-2-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])CC(=O)OCC

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])CC(=O)OCC

InChI

InChI=1S/C22H19N3O7S/c1-3-30-16-7-5-6-13-10-17(32-20(13)16)21(27)23-22-24(12-19(26)31-4-2)15-11-14(25(28)29)8-9-18(15)33-22/h5-11H,3-4,12H2,1-2H3