methyl 2-[[(E)-2-cyano-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-allyloxyphenyl)-2-cyano-prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(4-prop-2-enoxyphenyl)prop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-allyloxyphenyl)-2-cyano-acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)NC(=O)C(=CC2=CC=C(C=C2)OCC=C)C#N)C(=O)OC

Isomeric SMILES

CC(C)C1=CC(=C(S1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC=C)/C#N)C(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-5-10-28-17-8-6-15(7-9-17)11-16(13-23)20(25)24-21-18(22(26)27-4)12-19(29-21)14(2)3/h5-9,11-12,14H,1,10H2,2-4H3,(H,24,25)/b16-11+