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

Systemtic Name: propan-2-yl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[(E)-3-(4-tert-butylphenyl)acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC=C(C=C2)C(C)(C)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)/C=C/C2=CC=C(C=C2)C(C)(C)C)C(=O)OC(C)C

InChI

InChI=1S/C23H26N2O3S/c1-14(2)28-22(27)20-15(3)18(13-24)21(29-20)25-19(26)12-9-16-7-10-17(11-8-16)23(4,5)6/h7-12,14H,1-6H3,(H,25,26)/b12-9+