6-chloranyl-3-methyl-1-oxidanylidene-N-(2-prop-2-enylsulfanylphenyl)-4H-isochromene-3-carboxamide

Systemtic Name: 6-chloranyl-3-methyl-1-oxidanylidene-N-(2-prop-2-enylsulfanylphenyl)-4H-isochromene-3-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-6-chloro-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: 6-chloro-3-methyl-1-oxo-N-[2-(prop-2-enylthio)phenyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-chloro-3-methyl-1-oxo-N-(2-prop-2-enylsulfanylphenyl)-4H-isochromene-3-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-6-chloro-1-keto-3-methyl-isochroman-3-carboxamide Formula: C20H18ClNO3S MolecularWeight: 387.87982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)Cl)C(=O)O1)C(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)Cl)C(=O)O1)C(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C20H18ClNO3S/c1-3-10-26-17-7-5-4-6-16(17)22-19(24)20(2)12-13-11-14(21)8-9-15(13)18(23)25-20/h3-9,11H,1,10,12H2,2H3,(H,22,24)