ethyl 2-[6-ethoxy-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethoxy-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(5-nitro-1-benzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H19N3O6S2 MolecularWeight: 485.53276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)CC(=O)OCC

InChI

InChI=1S/C22H19N3O6S2/c1-3-30-15-6-7-16-18(11-15)33-22(24(16)12-20(26)31-4-2)23-21(27)19-10-13-9-14(25(28)29)5-8-17(13)32-19/h5-11H,3-4,12H2,1-2H3