methyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-ethoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-ethoxy-4-propoxy-phenyl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC)OCC

InChI

InChI=1S/C21H22N2O5S/c1-4-9-28-17-7-6-14(12-18(17)27-5-2)11-15(13-22)19(24)23-20-16(8-10-29-20)21(25)26-3/h6-8,10-12H,4-5,9H2,1-3H3,(H,23,24)/b15-11+