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

Systemtic Name: 2-[[(Z)-2-cyano-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(Z)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(Z)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-2-28-16-10-12(7-8-15(16)25)9-13(11-22)20(27)24-21-18(19(23)26)14-5-3-4-6-17(14)29-21/h7-10,25H,2-6H2,1H3,(H2,23,26)(H,24,27)/b13-9-