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

Systemtic Name: ethyl 2-[2-(4-butoxyphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-butoxybenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-butoxyphenyl)-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-butoxybenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-butoxybenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OCC

InChI

InChI=1S/C22H23N3O6S/c1-3-5-12-31-17-9-6-15(7-10-17)21(27)23-22-24(14-20(26)30-4-2)18-13-16(25(28)29)8-11-19(18)32-22/h6-11,13H,3-5,12,14H2,1-2H3