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

Systemtic Name: 6-bromanyl-N-(2-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-bromo-N-(2-methylsulfanylphenyl)-1-oxo-isochromane-3-carboxamide CAS Name: 6-bromo-N-[2-(methylthio)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-(2-methylsulfanylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-bromo-1-keto-N-[2-(methylthio)phenyl]isochroman-3-carboxamide Formula: C17H14BrNO3S MolecularWeight: 392.26696

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

InChI

InChI=1S/C17H14BrNO3S/c1-23-15-5-3-2-4-13(15)19-16(20)14-9-10-8-11(18)6-7-12(10)17(21)22-14/h2-8,14H,9H2,1H3,(H,19,20)