methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-(2-phenylethanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-(2-phenylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-[(cyclohexylamino)-oxomethyl]-4-methyl-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-(cyclohexylcarbamoyl)-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=CC=C2)C(=O)NC3CCCCC3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=CC=C2)C(=O)NC3CCCCC3

InChI

InChI=1S/C22H26N2O4S/c1-14-18(22(27)28-2)21(24-17(25)13-15-9-5-3-6-10-15)29-19(14)20(26)23-16-11-7-4-8-12-16/h3,5-6,9-10,16H,4,7-8,11-13H2,1-2H3,(H,23,26)(H,24,25)