ethyl 2-[2-(3-butoxyphenyl)carbonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(3-butoxyphenyl)carbonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3-butoxybenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-butoxyphenyl)-oxomethyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-butoxybenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-butoxybenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CC(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CC(=O)OCC

InChI

InChI=1S/C24H28N2O6S/c1-5-7-11-32-17-10-8-9-16(12-17)23(28)25-24-26(15-22(27)31-6-2)18-13-19(29-3)20(30-4)14-21(18)33-24/h8-10,12-14H,5-7,11,15H2,1-4H3