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

Systemtic Name: [3-cyano-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] N-cyclopropyl-N-methyl-carbamate Openeye Name: [3-cyano-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] N-cyclopropyl-N-methyl-carbamate CAS Name: N-cyclopropyl-N-methylcarbamic 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-cyclopropyl-N-methylcarbamate Traditional Name: N-cyclopropyl-N-methyl-carbamic acid [3-cyano-2-[[(E)-3-(3-pyridyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CC1)C(=O)OC2CCC3=C(C2)SC(=C3C#N)NC(=O)C=CC4=CN=CC=C4

Isomeric SMILES

CN(C1CC1)C(=O)OC2CCC3=C(C2)SC(=C3C#N)NC(=O)/C=C/C4=CN=CC=C4

InChI

InChI=1S/C22H22N4O3S/c1-26(15-5-6-15)22(28)29-16-7-8-17-18(12-23)21(30-19(17)11-16)25-20(27)9-4-14-3-2-10-24-13-14/h2-4,9-10,13,15-16H,5-8,11H2,1H3,(H,25,27)/b9-4+