N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(2-prop-2-enylphenoxy)ethanamide

Systemtic Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(2-prop-2-enylphenoxy)ethanamide Openeye Name: 2-(2-allylphenoxy)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)acetamide CAS Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-2-(2-prop-2-enylphenoxy)acetamide IUPAC Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-(2-prop-2-enylphenoxy)acetamide Traditional Name: 2-(2-allylphenoxy)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)acetamide Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)COC3=CC=CC=C3CC=C

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)COC3=CC=CC=C3CC=C

InChI

InChI=1S/C22H22N2O2S2/c1-3-6-15-7-4-5-8-19(15)26-13-20(25)24-21-18(12-23)16-10-9-14(2)11-17(16)22(27)28-21/h3-5,7-8,14H,1,6,9-11,13H2,2H3,(H,24,25)