6-cyclohexyl-4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid

Systemtic Name: 6-cyclohexyl-4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-6-cyclohexyl-4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]thieno[3,2-b]pyrrole-2-carboxylic acid CAS Name: 6-cyclohexyl-4-[2-(4-cyclohexyl-1-piperazinyl)-2-oxoethyl]-5-(4-phenylmethoxyphenyl)-2-thieno[3,2-b]pyrrolecarboxylic acid IUPAC Name: 6-cyclohexyl-4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-6-cyclohexyl-4-[2-(4-cyclohexylpiperazino)-2-keto-ethyl]thieno[3,2-b]pyrrole-2-carboxylic acid Formula: C38H45N3O4S MolecularWeight: 639.8466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2SC(=C3)C(=O)O)CC(=O)N4CCN(CC4)C5CCCCC5)C6=CC=C(C=C6)OCC7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2SC(=C3)C(=O)O)CC(=O)N4CCN(CC4)C5CCCCC5)C6=CC=C(C=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C38H45N3O4S/c42-34(40-22-20-39(21-23-40)30-14-8-3-9-15-30)25-41-32-24-33(38(43)44)46-37(32)35(28-12-6-2-7-13-28)36(41)29-16-18-31(19-17-29)45-26-27-10-4-1-5-11-27/h1,4-5,10-11,16-19,24,28,30H,2-3,6-9,12-15,20-23,25-26H2,(H,43,44)