methyl 2-[2-(1,3-benzothiazol-2-ylcarbonylimino)-6-bromanyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylcarbonylimino)-6-bromanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzothiazole-2-carbonylimino)-6-bromo-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-6-bromo-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzothiazole-2-carbonylimino)-6-bromo-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-2-carbonylimino)-6-bromo-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H12BrN3O3S2 MolecularWeight: 462.34018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H12BrN3O3S2/c1-25-15(23)9-22-12-7-6-10(19)8-14(12)27-18(22)21-16(24)17-20-11-4-2-3-5-13(11)26-17/h2-8H,9H2,1H3