methyl 2-[[(E)-2-cyano-3-(3-ethoxyphenyl)prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3-ethoxyphenyl)prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(3-ethoxyphenyl)prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(3-ethoxyphenyl)prop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-m-phenetyl-acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C(=CC2=CC(=CC=C2)OCC)C#N)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)/C(=C/C2=CC(=CC=C2)OCC)/C#N)C(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-4-7-17-12-18(21(25)26-3)20(28-17)23-19(24)15(13-22)10-14-8-6-9-16(11-14)27-5-2/h6,8-12H,4-5,7H2,1-3H3,(H,23,24)/b15-10+