methyl 2-[2-(4-bromophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-bromophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-bromobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-bromophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-bromobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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