methyl 3-[[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-1-oxoprop-2-enyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acryloyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC(CC(=O)OC)C2=CC=CS2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC(CC(=O)OC)C2=CC=CS2)OCC#N

InChI

InChI=1S/C20H20N2O5S/c1-25-17-12-14(5-7-16(17)27-10-9-21)6-8-19(23)22-15(13-20(24)26-2)18-4-3-11-28-18/h3-8,11-12,15H,10,13H2,1-2H3,(H,22,23)/b8-6+