methyl 2-[2-(3-bromophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(3-bromophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-bromobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-bromophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-bromobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-bromobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H13BrN2O3S/c1-23-15(21)10-20-13-7-2-3-8-14(13)24-17(20)19-16(22)11-5-4-6-12(18)9-11/h2-9H,10H2,1H3