ethyl 2-[6-bromanyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-bromanyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21BrN2O6S MolecularWeight: 509.37024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H21BrN2O6S/c1-5-30-18(25)11-24-14-7-6-13(22)10-17(14)31-21(24)23-20(26)12-8-15(27-2)19(29-4)16(9-12)28-3/h6-10H,5,11H2,1-4H3