propan-2-yl 2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-(4-tert-butylphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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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)C(C)(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-14(2)27-21(26)18-10-11-28-20(18)24-19(25)16(13-23)12-15-6-8-17(9-7-15)22(3,4)5/h6-12,14H,1-5H3,(H,24,25)/b16-12+