ethyl 2-[6-nitro-2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-nitro-2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-nitro-2-(tetralin-6-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[oxo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-nitro-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-(tetralin-6-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C22H21N3O5S/c1-2-30-20(26)13-24-18-10-9-17(25(28)29)12-19(18)31-22(24)23-21(27)16-8-7-14-5-3-4-6-15(14)11-16/h7-12H,2-6,13H2,1H3