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

Systemtic Name: ethyl 2-[6-bromanyl-2-(2-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(2-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-bromo-2-o-toluoylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C19H17BrN2O3S MolecularWeight: 433.31888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C19H17BrN2O3S/c1-3-25-17(23)11-22-15-9-8-13(20)10-16(15)26-19(22)21-18(24)14-7-5-4-6-12(14)2/h4-10H,3,11H2,1-2H3