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

Systemtic Name: [3-cyano-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] N-methyl-N-prop-2-enyl-carbamate Openeye Name: [3-cyano-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] N-allyl-N-methyl-carbamate CAS Name: N-methyl-N-prop-2-enylcarbamic 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-methyl-N-prop-2-enylcarbamate Traditional Name: N-allyl-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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S/c1-3-11-26(2)22(28)29-16-7-8-17-18(13-23)21(30-19(17)12-16)25-20(27)9-6-15-5-4-10-24-14-15/h3-6,9-10,14,16H,1,7-8,11-12H2,2H3,(H,25,27)/b9-6+