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

Systemtic Name: methyl 2-[6-bromanyl-2-(4-cyanophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(4-cyanophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H12BrN3O3S MolecularWeight: 430.27518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H12BrN3O3S/c1-25-16(23)10-22-14-7-6-13(19)8-15(14)26-18(22)21-17(24)12-4-2-11(9-20)3-5-12/h2-8H,10H2,1H3