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

Systemtic Name: [3-cyano-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] N-ethylcarbamate Openeye Name: [3-cyano-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] N-ethylcarbamate CAS Name: N-ethylcarbamic 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] N-ethylcarbamate Traditional Name: N-ethylcarbamic acid [3-cyano-2-[[(E)-3-(3-pyridyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)OC1CCC2=C(C1)SC(=C2C#N)NC(=O)C=CC3=CN=CC=C3

Isomeric SMILES

CCNC(=O)OC1CCC2=C(C1)SC(=C2C#N)NC(=O)/C=C/C3=CN=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-2-23-20(26)27-14-6-7-15-16(11-21)19(28-17(15)10-14)24-18(25)8-5-13-4-3-9-22-12-13/h3-5,8-9,12,14H,2,6-7,10H2,1H3,(H,23,26)(H,24,25)/b8-5+