3,6-dimethyl-1-oxidanylidene-N-(2-prop-2-enylsulfanylphenyl)-4H-isochromene-3-carboxamide

Systemtic Name: 3,6-dimethyl-1-oxidanylidene-N-(2-prop-2-enylsulfanylphenyl)-4H-isochromene-3-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-3,6-dimethyl-1-oxo-isochromane-3-carboxamide CAS Name: 3,6-dimethyl-1-oxo-N-[2-(prop-2-enylthio)phenyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3,6-dimethyl-1-oxo-N-(2-prop-2-enylsulfanylphenyl)-4H-isochromene-3-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-1-keto-3,6-dimethyl-isochroman-3-carboxamide Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C21H21NO3S/c1-4-11-26-18-8-6-5-7-17(18)22-20(24)21(3)13-15-12-14(2)9-10-16(15)19(23)25-21/h4-10,12H,1,11,13H2,2-3H3,(H,22,24)