[3-cyano-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] 3-oxidanylpyrrolidine-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-oxidanylpyrrolidine-1-carboxylate Openeye Name: [3-cyano-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] 3-hydroxypyrrolidine-1-carboxylate CAS Name: 3-hydroxy-1-pyrrolidinecarboxylic 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-hydroxypyrrolidine-1-carboxylate Traditional Name: 3-hydroxypyrrolidine-1-carboxylic acid [3-cyano-2-[[(E)-3-(3-pyridyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1OC(=O)N3CCC(C3)O)SC(=C2C#N)NC(=O)C=CC4=CN=CC=C4

Isomeric SMILES

C1CC2=C(CC1OC(=O)N3CCC(C3)O)SC(=C2C#N)NC(=O)/C=C/C4=CN=CC=C4

InChI

InChI=1S/C22H22N4O4S/c23-11-18-17-5-4-16(30-22(29)26-9-7-15(27)13-26)10-19(17)31-21(18)25-20(28)6-3-14-2-1-8-24-12-14/h1-3,6,8,12,15-16,27H,4-5,7,9-10,13H2,(H,25,28)/b6-3+