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

Systemtic Name: methyl 2-[6-bromanyl-2-(3,4,5-triethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[oxo-(3,4,5-triethoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H25BrN2O6S MolecularWeight: 537.4234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

InChI

InChI=1S/C23H25BrN2O6S/c1-5-30-17-10-14(11-18(31-6-2)21(17)32-7-3)22(28)25-23-26(13-20(27)29-4)16-9-8-15(24)12-19(16)33-23/h8-12H,5-7,13H2,1-4H3