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

Systemtic Name: 2-[[(Z)-2-cyano-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(Z)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(Z)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(Z)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(Z)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)O

InChI

InChI=1S/C20H19N3O4S/c1-27-15-7-6-11(9-14(15)24)8-12(10-21)19(26)23-20-17(18(22)25)13-4-2-3-5-16(13)28-20/h6-9,24H,2-5H2,1H3,(H2,22,25)(H,23,26)/b12-8-