methyl 2-[[(E)-2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(2,3,4-trimethoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(2,3,4-trimethoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC)OC)OC

InChI

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