ethyl 2-[[(E)-2-cyano-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-hydroxy-3,5-dimethoxy-phenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC(=C(C(=C2)OC)O)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6S/c1-4-27-19(24)13-5-6-28-18(13)21-17(23)12(10-20)7-11-8-14(25-2)16(22)15(9-11)26-3/h5-9,22H,4H2,1-3H3,(H,21,23)/b12-7+