[3-cyano-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] N-methyl-N-propan-2-yl-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-propan-2-yl-carbamate Openeye Name: [3-cyano-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] N-isopropyl-N-methyl-carbamate CAS Name: N-methyl-N-propan-2-ylcarbamic 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-propan-2-ylcarbamate Traditional Name: N-isopropyl-N-methyl-carbamic acid [3-cyano-2-[[(E)-3-(3-pyridyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophen-6-yl] ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-14(2)26(3)22(28)29-16-7-8-17-18(12-23)21(30-19(17)11-16)25-20(27)9-6-15-5-4-10-24-13-15/h4-6,9-10,13-14,16H,7-8,11H2,1-3H3,(H,25,27)/b9-6+