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

Systemtic Name: propan-2-yl 2-[[(E)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6S/c1-12(2)29-21(25)15-6-7-30-20(15)23-19(24)14(11-22)8-13-9-16(26-3)18(28-5)17(10-13)27-4/h6-10,12H,1-5H3,(H,23,24)/b14-8+