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

Systemtic Name: (E)-2-cyano-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(2-methoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(2-methoxyphenyl)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-(2-methoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(2-methoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(2-methoxyphenyl)acrylamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C(=CC3=CC=CC=C3OC)C#N

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)/C(=C/C3=CC=CC=C3OC)/C#N

InChI

InChI=1S/C22H19N3O2S2/c1-13-7-8-16-17(9-13)22(28)29-21(18(16)12-24)25-20(26)15(11-23)10-14-5-3-4-6-19(14)27-2/h3-6,10,13H,7-9H2,1-2H3,(H,25,26)/b15-10+