methyl 4-cyclohexyl-5-phenyl-6-(phenylmethyl)thieno[2,3-b]pyrrole-2-carboxylate

Systemtic Name: methyl 4-cyclohexyl-5-phenyl-6-(phenylmethyl)thieno[2,3-b]pyrrole-2-carboxylate Openeye Name: methyl 6-benzyl-4-cyclohexyl-5-phenyl-thieno[2,3-b]pyrrole-2-carboxylate CAS Name: 4-cyclohexyl-5-phenyl-6-(phenylmethyl)-2-thieno[2,3-b]pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 6-benzyl-4-cyclohexyl-5-phenylthieno[2,3-b]pyrrole-2-carboxylate Traditional Name: 6-benzyl-4-cyclohexyl-5-phenyl-thieno[2,3-b]pyrrole-2-carboxylic acid methyl ester Formula: C27H27NO2S MolecularWeight: 429.57378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)N(C(=C2C3CCCCC3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(S1)N(C(=C2C3CCCCC3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27NO2S/c1-30-27(29)23-17-22-24(20-13-7-3-8-14-20)25(21-15-9-4-10-16-21)28(26(22)31-23)18-19-11-5-2-6-12-19/h2,4-6,9-12,15-17,20H,3,7-8,13-14,18H2,1H3