2-[[(E)-2-cyano-3-(4-octoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(E)-2-cyano-3-(4-octoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-2-cyano-3-(4-octoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-2-cyano-3-(4-octoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-2-cyano-3-(4-octoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-2-cyano-3-(4-octoxyphenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C27H33N3O3S/c1-2-3-4-5-6-9-16-33-21-14-12-19(13-15-21)17-20(18-28)26(32)30-27-24(25(29)31)22-10-7-8-11-23(22)34-27/h12-15,17H,2-11,16H2,1H3,(H2,29,31)(H,30,32)/b20-17+