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

Systemtic Name: methyl 4-(4-cyclohexylphenyl)-5-methyl-2-(2-phenylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-cyclohexylphenyl)-5-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-cyclohexylphenyl)-5-methyl-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyclohexylphenyl)-5-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-cyclohexylphenyl)-5-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CC2=CC=CC=C2)C(=O)OC)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CC2=CC=CC=C2)C(=O)OC)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C27H29NO3S/c1-18-24(22-15-13-21(14-16-22)20-11-7-4-8-12-20)25(27(30)31-2)26(32-18)28-23(29)17-19-9-5-3-6-10-19/h3,5-6,9-10,13-16,20H,4,7-8,11-12,17H2,1-2H3,(H,28,29)