propan-2-yl 2-[[(E)-2-cyano-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-2-cyano-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC(C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC(C)C)O

InChI

InChI=1S/C20H20N2O5S/c1-4-26-17-10-13(5-6-16(17)23)9-14(11-21)18(24)22-19-15(7-8-28-19)20(25)27-12(2)3/h5-10,12,23H,4H2,1-3H3,(H,22,24)/b14-9+