3-methyl-1-oxidanylidene-N-(2-propan-2-ylsulfanylphenyl)-4H-isochromene-3-carboxamide

Systemtic Name: 3-methyl-1-oxidanylidene-N-(2-propan-2-ylsulfanylphenyl)-4H-isochromene-3-carboxamide Openeye Name: N-(2-isopropylsulfanylphenyl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: 3-methyl-1-oxo-N-[2-(propan-2-ylthio)phenyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3-methyl-1-oxo-N-(2-propan-2-ylsulfanylphenyl)-4H-isochromene-3-carboxamide Traditional Name: N-[2-(isopropylthio)phenyl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CC(C)SC1=CC=CC=C1NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C20H21NO3S/c1-13(2)25-17-11-7-6-10-16(17)21-19(23)20(3)12-14-8-4-5-9-15(14)18(22)24-20/h4-11,13H,12H2,1-3H3,(H,21,23)