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

Systemtic Name: (E)-2-cyano-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(4-hexoxy-3-methoxy-phenyl)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-hexoxy-3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-(4-hexoxy-3-methoxy-phenyl)acrylamide Formula: C28H31N3O3S2 MolecularWeight: 521.69404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(CC(CC3)C)C(=S)S2)C#N)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C3=C(CC(CC3)C)C(=S)S2)C#N)OC

InChI

InChI=1S/C28H31N3O3S2/c1-4-5-6-7-12-34-24-11-9-19(15-25(24)33-3)14-20(16-29)26(32)31-27-23(17-30)21-10-8-18(2)13-22(21)28(35)36-27/h9,11,14-15,18H,4-8,10,12-13H2,1-3H3,(H,31,32)/b20-14+