ethyl 5-ethanoyl-4-methyl-2-[3-(4-propan-2-ylphenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[3-(4-propan-2-ylphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[3-(4-isopropylphenyl)prop-2-enoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[3-(4-propan-2-ylphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[(3-p-cumenylacryloyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-6-27-22(26)19-14(4)20(15(5)24)28-21(19)23-18(25)12-9-16-7-10-17(11-8-16)13(2)3/h7-13H,6H2,1-5H3,(H,23,25)