3-methyl-N-(2-methylsulfanylphenyl)-1-oxidanylidene-6-propan-2-yl-4H-isochromene-3-carboxamide

Systemtic Name: 3-methyl-N-(2-methylsulfanylphenyl)-1-oxidanylidene-6-propan-2-yl-4H-isochromene-3-carboxamide Openeye Name: 6-isopropyl-3-methyl-N-(2-methylsulfanylphenyl)-1-oxo-isochromane-3-carboxamide CAS Name: 3-methyl-N-[2-(methylthio)phenyl]-1-oxo-6-propan-2-yl-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3-methyl-N-(2-methylsulfanylphenyl)-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide Traditional Name: 6-isopropyl-1-keto-3-methyl-N-[2-(methylthio)phenyl]isochroman-3-carboxamide Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H23NO3S/c1-13(2)14-9-10-16-15(11-14)12-21(3,25-19(16)23)20(24)22-17-7-5-6-8-18(17)26-4/h5-11,13H,12H2,1-4H3,(H,22,24)