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

Systemtic Name: 6-cyclohexyl-4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-6-cyclohexyl-4-[2-(dimethylamino)-2-oxo-ethyl]thieno[3,2-b]pyrrole-2-carboxylic acid CAS Name: 6-cyclohexyl-4-[2-(dimethylamino)-2-oxoethyl]-5-(4-phenylmethoxyphenyl)-2-thieno[3,2-b]pyrrolecarboxylic acid IUPAC Name: 6-cyclohexyl-4-[2-(dimethylamino)-2-oxoethyl]-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-6-cyclohexyl-4-[2-(dimethylamino)-2-keto-ethyl]thieno[3,2-b]pyrrole-2-carboxylic acid Formula: C30H32N2O4S MolecularWeight: 516.65108

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1C2=C(C(=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCCCC5)SC(=C2)C(=O)O

Isomeric SMILES

CN(C)C(=O)CN1C2=C(C(=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCCCC5)SC(=C2)C(=O)O

InChI

InChI=1S/C30H32N2O4S/c1-31(2)26(33)18-32-24-17-25(30(34)35)37-29(24)27(21-11-7-4-8-12-21)28(32)22-13-15-23(16-14-22)36-19-20-9-5-3-6-10-20/h3,5-6,9-10,13-17,21H,4,7-8,11-12,18-19H2,1-2H3,(H,34,35)