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

Systemtic Name: 2-[[(E)-2-cyano-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(4-allyloxyphenyl)-2-cyano-prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(4-prop-2-enoxyphenyl)prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-2-cyano-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(4-allyloxyphenyl)-2-cyano-acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C22H21N3O3S/c1-2-11-28-16-9-7-14(8-10-16)12-15(13-23)21(27)25-22-19(20(24)26)17-5-3-4-6-18(17)29-22/h2,7-10,12H,1,3-6,11H2,(H2,24,26)(H,25,27)/b15-12+