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

Systemtic Name: ethyl 2-[5,6-dimethoxy-2-(3-pentoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,6-dimethoxy-2-(3-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethoxy-2-[oxo-(3-pentoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,6-dimethoxy-2-(3-pentoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-amoxybenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CC(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CC(=O)OCC

InChI

InChI=1S/C25H30N2O6S/c1-5-7-8-12-33-18-11-9-10-17(13-18)24(29)26-25-27(16-23(28)32-6-2)19-14-20(30-3)21(31-4)15-22(19)34-25/h9-11,13-15H,5-8,12,16H2,1-4H3