3-methyl-1-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-4H-isochromene-3-carboxamide

Systemtic Name: 3-methyl-1-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-4H-isochromene-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: 3-methyl-1-oxo-N-[2-(phenylmethylthio)ethyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO3S/c1-20(13-16-9-5-6-10-17(16)18(22)24-20)19(23)21-11-12-25-14-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,23)