[3-cyano-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] 3-oxidanylazetidine-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-oxidanylazetidine-1-carboxylate Openeye Name: [3-cyano-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] 3-hydroxyazetidine-1-carboxylate CAS Name: 3-hydroxy-1-azetidinecarboxylic 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-hydroxyazetidine-1-carboxylate Traditional Name: 3-hydroxyazetidine-1-carboxylic acid [3-cyano-2-[[(E)-3-(3-pyridyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1OC(=O)N3CC(C3)O)SC(=C2C#N)NC(=O)C=CC4=CN=CC=C4

Isomeric SMILES

C1CC2=C(CC1OC(=O)N3CC(C3)O)SC(=C2C#N)NC(=O)/C=C/C4=CN=CC=C4

InChI

InChI=1S/C21H20N4O4S/c22-9-17-16-5-4-15(29-21(28)25-11-14(26)12-25)8-18(16)30-20(17)24-19(27)6-3-13-2-1-7-23-10-13/h1-3,6-7,10,14-15,26H,4-5,8,11-12H2,(H,24,27)/b6-3+