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

Systemtic Name: [3-cyano-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] piperidine-1-carboxylate Openeye Name: [3-cyano-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] piperidine-1-carboxylate CAS Name: 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] piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid [3-cyano-2-[[(E)-3-(3-pyridyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] ester Formula: C23H24N4O3S MolecularWeight: 436.52666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)OC2CCC3=C(C2)SC(=C3C#N)NC(=O)C=CC4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)OC2CCC3=C(C2)SC(=C3C#N)NC(=O)/C=C/C4=CN=CC=C4

InChI

InChI=1S/C23H24N4O3S/c24-14-19-18-8-7-17(30-23(29)27-11-2-1-3-12-27)13-20(18)31-22(19)26-21(28)9-6-16-5-4-10-25-15-16/h4-6,9-10,15,17H,1-3,7-8,11-13H2,(H,26,28)/b9-6+