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

Systemtic Name: (3S)-N-(2-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3S)-N-(2-methylsulfanylphenyl)-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[2-(methylthio)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(2-methylsulfanylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3S)-1-keto-N-[2-(methylthio)phenyl]isochroman-3-carboxamide Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)[C@@H]2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C17H15NO3S/c1-22-15-9-5-4-8-13(15)18-16(19)14-10-11-6-2-3-7-12(11)17(20)21-14/h2-9,14H,10H2,1H3,(H,18,19)/t14-/m0/s1