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

Systemtic Name: methyl 4-aminocarbonyl-5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-carbamoyl-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]amino]-4-carbamoyl-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylate Traditional Name: 5-[[(E)-3-(4-tert-butylphenyl)acryloyl]amino]-4-carbamoyl-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-12-16(18(22)25)19(28-17(12)20(26)27-5)23-15(24)11-8-13-6-9-14(10-7-13)21(2,3)4/h6-11H,1-5H3,(H2,22,25)(H,23,24)/b11-8+