ethyl 2-[(2-cyano-3-pyridin-4-yl-prop-2-enoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-cyano-3-pyridin-4-yl-prop-2-enoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-cyano-3-(4-pyridyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-cyano-1-oxo-3-pyridin-4-ylprop-2-enyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-cyano-3-pyridin-4-ylprop-2-enoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(4-pyridyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=NC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=NC=C3)C#N

InChI

InChI=1S/C20H19N3O3S/c1-2-26-20(25)17-15-5-3-4-6-16(15)27-19(17)23-18(24)14(12-21)11-13-7-9-22-10-8-13/h7-11H,2-6H2,1H3,(H,23,24)