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

COC1CN(C1)C(=O)OC2CCC3=C(C2)SC(=C3C#N)NC(=O)C=CC4=CN=CC=C4

Isomeric SMILES

COC1CN(C1)C(=O)OC2CCC3=C(C2)SC(=C3C#N)NC(=O)/C=C/C4=CN=CC=C4

InChI

InChI=1S/C22H22N4O4S/c1-29-16-12-26(13-16)22(28)30-15-5-6-17-18(10-23)21(31-19(17)9-15)25-20(27)7-4-14-3-2-8-24-11-14/h2-4,7-8,11,15-16H,5-6,9,12-13H2,1H3,(H,25,27)/b7-4+