N-(3-methylsulfanylphenyl)-3-oxidanylidene-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-3-oxidanylidene-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-3-oxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-3-oxo-2-(2-oxolanylmethyl)-1H-isoindole-4-carboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide Traditional Name: 3-keto-N-[3-(methylthio)phenyl]-2-(tetrahydrofurfuryl)isoindoline-4-carboxamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4CCCO4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4CCCO4

InChI

InChI=1S/C21H22N2O3S/c1-27-17-8-3-6-15(11-17)22-20(24)18-9-2-5-14-12-23(21(25)19(14)18)13-16-7-4-10-26-16/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3,(H,22,24)