[3-cyano-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] 4-oxidanylpiperidine-1-carboxylate

Systemtic Name: [3-cyano-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] 4-oxidanylpiperidine-1-carboxylate Openeye Name: [3-cyano-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] 4-hydroxypiperidine-1-carboxylate CAS Name: 4-hydroxy-1-piperidinecarboxylic acid [3-cyano-2-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] ester IUPAC Name: [3-cyano-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] 4-hydroxypiperidine-1-carboxylate Traditional Name: 4-hydroxypiperidine-1-carboxylic acid [3-cyano-2-[[(E)-3-(3-pyridyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] ester Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1OC(=O)N3CCC(CC3)O)SC(=C2C#N)NC(=O)C=CC4=CN=CC=C4

Isomeric SMILES

C1CC2=C(CC1OC(=O)N3CCC(CC3)O)SC(=C2C#N)NC(=O)/C=C/C4=CN=CC=C4

InChI

InChI=1S/C23H24N4O4S/c24-13-19-18-5-4-17(31-23(30)27-10-7-16(28)8-11-27)12-20(18)32-22(19)26-21(29)6-3-15-2-1-9-25-14-15/h1-3,6,9,14,16-17,28H,4-5,7-8,10-12H2,(H,26,29)/b6-3+