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

Systemtic Name: ethyl 2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-5-26-20(25)17-10-11-27-19(17)23-18(24)15(13-22)12-14-6-8-16(9-7-14)21(2,3)4/h6-12H,5H2,1-4H3,(H,23,24)/b15-12+