ethyl 5-aminocarbonyl-2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-tert-butylphenyl)acryloyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C=CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)/C=C/C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H26N2O4S/c1-6-28-21(27)17-13(2)18(19(23)26)29-20(17)24-16(25)12-9-14-7-10-15(11-8-14)22(3,4)5/h7-12H,6H2,1-5H3,(H2,23,26)(H,24,25)/b12-9+