methyl 2-(3-cyclohexylpropanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3-cyclohexylpropanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3-cyclohexylpropanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(3-cyclohexyl-1-oxopropyl)amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-cyclohexylpropanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-cyclohexylpropanoylamino)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCC3CCCCC3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCC3CCCCC3

InChI

InChI=1S/C21H25NO3S/c1-25-21(24)19-17(16-10-6-3-7-11-16)14-26-20(19)22-18(23)13-12-15-8-4-2-5-9-15/h3,6-7,10-11,14-15H,2,4-5,8-9,12-13H2,1H3,(H,22,23)