ethyl 2-[2-(4-tert-butylphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-tert-butylphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-tert-butylbenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-tert-butylphenyl)-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-tert-butylbenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-tert-butylbenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c1-5-30-19(26)13-24-17-12-16(25(28)29)10-11-18(17)31-21(24)23-20(27)14-6-8-15(9-7-14)22(2,3)4/h6-12H,5,13H2,1-4H3