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

Systemtic Name: methyl 2-[6-nitro-2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S/c1-29-19(25)12-23-17-9-8-16(24(27)28)11-18(17)30-21(23)22-20(26)15-7-6-13-4-2-3-5-14(13)10-15/h6-11H,2-5,12H2,1H3