N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-oxo-isochromane-3-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-keto-isochroman-3-carboxamide Formula: C17H11BrN2O3S MolecularWeight: 403.24984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C17H11BrN2O3S/c18-10-5-6-12-14(8-10)24-17(19-12)20-15(21)13-7-9-3-1-2-4-11(9)16(22)23-13/h1-6,8,13H,7H2,(H,19,20,21)