[3-cyano-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] 3-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] 3-oxidanylpiperidine-1-carboxylate Openeye Name: [3-cyano-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] 3-hydroxypiperidine-1-carboxylate CAS Name: 3-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] 3-hydroxypiperidine-1-carboxylate Traditional Name: 3-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:

C1CC(CN(C1)C(=O)OC2CCC3=C(C2)SC(=C3C#N)NC(=O)C=CC4=CN=CC=C4)O

Isomeric SMILES

C1CC(CN(C1)C(=O)OC2CCC3=C(C2)SC(=C3C#N)NC(=O)/C=C/C4=CN=CC=C4)O

InChI

InChI=1S/C23H24N4O4S/c24-12-19-18-7-6-17(31-23(30)27-10-2-4-16(28)14-27)11-20(18)32-22(19)26-21(29)8-5-15-3-1-9-25-13-15/h1,3,5,8-9,13,16-17,28H,2,4,6-7,10-11,14H2,(H,26,29)/b8-5+