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

Systemtic Name: methyl 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-tert-butylphenyl)acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H25NO3S/c1-25(2,3)19-13-10-17(11-14-19)12-15-21(27)26-23-22(24(28)29-4)20(16-30-23)18-8-6-5-7-9-18/h5-16H,1-4H3,(H,26,27)/b15-12+