ethyl 5-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-[(3-chloro-4-methyl-phenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-[(3-chloro-4-methylanilino)-oxomethyl]-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-[(3-chloro-4-methyl-phenyl)carbamoyl]-2-(hydrocinnamoylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25ClN2O4S MolecularWeight: 484.995

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=C(C=C2)C)Cl)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=C(C=C2)C)Cl)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H25ClN2O4S/c1-4-32-25(31)21-16(3)22(23(30)27-18-12-10-15(2)19(26)14-18)33-24(21)28-20(29)13-11-17-8-6-5-7-9-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,27,30)(H,28,29)