methyl 2-[6-bromanyl-2-(3,5-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-(3,5-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-(3,5-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(3,5-dimethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-(3,5-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(3,5-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H17BrN2O5S MolecularWeight: 465.31768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC)OC

InChI

InChI=1S/C19H17BrN2O5S/c1-25-13-6-11(7-14(9-13)26-2)18(24)21-19-22(10-17(23)27-3)15-5-4-12(20)8-16(15)28-19/h4-9H,10H2,1-3H3