methyl 2-[[(Z)-2-cyano-3-pyridin-4-yl-prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(Z)-2-cyano-3-pyridin-4-yl-prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(Z)-2-cyano-3-(4-pyridyl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(Z)-2-cyano-1-oxo-3-pyridin-4-ylprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(Z)-2-cyano-3-pyridin-4-ylprop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(Z)-2-cyano-3-(4-pyridyl)acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(=CC3=CC=NC=C3)C#N

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)/C(=C\C3=CC=NC=C3)/C#N

InChI

InChI=1S/C21H15N3O3S/c1-27-21(26)17-12-18(15-5-3-2-4-6-15)28-20(17)24-19(25)16(13-22)11-14-7-9-23-10-8-14/h2-12H,1H3,(H,24,25)/b16-11-