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

Systemtic Name: 6-cyclohexyl-4-[2-[4-(dimethylamino)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-(4-methoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Openeye Name: 6-cyclohexyl-4-[2-[4-(dimethylamino)piperazin-1-yl]-2-oxo-ethyl]-5-(4-methoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid CAS Name: 6-cyclohexyl-4-[2-[4-(dimethylamino)-1-piperazinyl]-2-oxoethyl]-5-(4-methoxyphenyl)-2-thieno[3,2-b]pyrrolecarboxylic acid IUPAC Name: 6-cyclohexyl-4-[2-[4-(dimethylamino)piperazin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Traditional Name: 6-cyclohexyl-4-[2-[4-(dimethylamino)piperazino]-2-keto-ethyl]-5-(4-methoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Formula: C28H36N4O4S MolecularWeight: 524.67484

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N1CCN(CC1)C(=O)CN2C3=C(C(=C2C4=CC=C(C=C4)OC)C5CCCCC5)SC(=C3)C(=O)O

Isomeric SMILES

CN(C)N1CCN(CC1)C(=O)CN2C3=C(C(=C2C4=CC=C(C=C4)OC)C5CCCCC5)SC(=C3)C(=O)O

InChI

InChI=1S/C28H36N4O4S/c1-29(2)31-15-13-30(14-16-31)24(33)18-32-22-17-23(28(34)35)37-27(22)25(19-7-5-4-6-8-19)26(32)20-9-11-21(36-3)12-10-20/h9-12,17,19H,4-8,13-16,18H2,1-3H3,(H,34,35)