6-ethyl-1-oxidanylidene-N-(2-prop-2-enylsulfanylphenyl)-3,4-dihydroisochromene-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C21H21NO3S/c1-3-11-26-19-8-6-5-7-17(19)22-20(23)18-13-15-12-14(4-2)9-10-16(15)21(24)25-18/h3,5-10,12,18H,1,4,11,13H2,2H3,(H,22,23)