ethyl 2-[[(E)-2-cyano-3-(furan-2-yl)prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(furan-2-yl)prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(2-furyl)prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(furan-2-yl)prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(2-furyl)acryloyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C(=CC3=CC=CO3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)/C(=C/C3=CC=CO3)/C#N

InChI

InChI=1S/C22H18N2O5S/c1-3-28-22(26)19-18(14-6-8-16(27-2)9-7-14)13-30-21(19)24-20(25)15(12-23)11-17-5-4-10-29-17/h4-11,13H,3H2,1-2H3,(H,24,25)/b15-11+