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

Systemtic Name: 2-[[2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-cyano-1-oxo-3-(2-propoxyphenyl)prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-cyano-3-(2-propoxyphenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C22H23N3O3S/c1-2-11-28-17-9-5-3-7-14(17)12-15(13-23)21(27)25-22-19(20(24)26)16-8-4-6-10-18(16)29-22/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H2,24,26)(H,25,27)