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

Systemtic Name: ethyl 2-[6-bromanyl-2-(2,3-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-(2,3-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(2,3-dimethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-(2,3-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-bromo-2-o-veratroylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O5S/c1-4-28-17(24)11-23-14-9-8-12(21)10-16(14)29-20(23)22-19(25)13-6-5-7-15(26-2)18(13)27-3/h5-10H,4,11H2,1-3H3