(E)-2-cyano-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(4-ethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-3-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-p-phenetyl-acrylamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(CC(CC3)C)C(=S)S2)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C3=C(CC(CC3)C)C(=S)S2)C#N

InChI

InChI=1S/C23H21N3O2S2/c1-3-28-17-7-5-15(6-8-17)11-16(12-24)21(27)26-22-20(13-25)18-9-4-14(2)10-19(18)23(29)30-22/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,26,27)/b16-11+