[3-cyano-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] N-ethyl-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-ethyl-N-methyl-carbamate Openeye Name: [3-cyano-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] N-ethyl-N-methyl-carbamate CAS Name: N-ethyl-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-ethyl-N-methylcarbamate Traditional Name: N-ethyl-N-methyl-carbamic acid [3-cyano-2-[[(E)-3-(3-pyridyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-3-25(2)21(27)28-15-7-8-16-17(12-22)20(29-18(16)11-15)24-19(26)9-6-14-5-4-10-23-13-14/h4-6,9-10,13,15H,3,7-8,11H2,1-2H3,(H,24,26)/b9-6+