6-bromanyl-N-(2-ethylsulfanylphenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: 6-bromanyl-N-(2-ethylsulfanylphenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: 6-bromo-N-(2-ethylsulfanylphenyl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: 6-bromo-N-[2-(ethylthio)phenyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-(2-ethylsulfanylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: 6-bromo-N-[2-(ethylthio)phenyl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2(CC3=C(C=CC(=C3)Br)C(=O)O2)C

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2(CC3=C(C=CC(=C3)Br)C(=O)O2)C

InChI

InChI=1S/C19H18BrNO3S/c1-3-25-16-7-5-4-6-15(16)21-18(23)19(2)11-12-10-13(20)8-9-14(12)17(22)24-19/h4-10H,3,11H2,1-2H3,(H,21,23)