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

Systemtic Name: ethyl 5-[(3-chloranyl-2-methyl-phenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-[(3-chloro-2-methyl-phenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-[(3-chloro-2-methylanilino)-oxomethyl]-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-[(3-chloro-2-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=C(C(=CC=C2)Cl)C)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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