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

Systemtic Name: [3-cyano-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] N-cyclopropylcarbamate Openeye Name: [3-cyano-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] N-cyclopropylcarbamate CAS Name: N-cyclopropylcarbamic 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-cyclopropylcarbamate Traditional Name: N-cyclopropylcarbamic acid [3-cyano-2-[[(E)-3-(3-pyridyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)OC2CCC3=C(C2)SC(=C3C#N)NC(=O)C=CC4=CN=CC=C4

Isomeric SMILES

C1CC1NC(=O)OC2CCC3=C(C2)SC(=C3C#N)NC(=O)/C=C/C4=CN=CC=C4

InChI

InChI=1S/C21H20N4O3S/c22-11-17-16-7-6-15(28-21(27)24-14-4-5-14)10-18(16)29-20(17)25-19(26)8-3-13-2-1-9-23-12-13/h1-3,8-9,12,14-15H,4-7,10H2,(H,24,27)(H,25,26)/b8-3+