5-(4-chlorophenyl)-6-cyclohexyl-4-[2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]-2-oxidanylidene-ethyl]thieno[3,2-b]pyrrole-2-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-6-cyclohexyl-4-[2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]-2-oxidanylidene-ethyl]thieno[3,2-b]pyrrole-2-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-6-cyclohexyl-4-[2-[methyl-[(1-methyl-3-piperidyl)methyl]amino]-2-oxo-ethyl]thieno[3,2-b]pyrrole-2-carboxylic acid CAS Name: 5-(4-chlorophenyl)-6-cyclohexyl-4-[2-[methyl-[(1-methyl-3-piperidinyl)methyl]amino]-2-oxoethyl]-2-thieno[3,2-b]pyrrolecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-6-cyclohexyl-4-[2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]-2-oxoethyl]thieno[3,2-b]pyrrole-2-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-6-cyclohexyl-4-[2-keto-2-[methyl-[(1-methyl-3-piperidyl)methyl]amino]ethyl]thieno[3,2-b]pyrrole-2-carboxylic acid Formula: C29H36ClN3O3S MolecularWeight: 542.13244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)CN(C)C(=O)CN2C3=C(C(=C2C4=CC=C(C=C4)Cl)C5CCCCC5)SC(=C3)C(=O)O

Isomeric SMILES

CN1CCCC(C1)CN(C)C(=O)CN2C3=C(C(=C2C4=CC=C(C=C4)Cl)C5CCCCC5)SC(=C3)C(=O)O

InChI

InChI=1S/C29H36ClN3O3S/c1-31-14-6-7-19(16-31)17-32(2)25(34)18-33-23-15-24(29(35)36)37-28(23)26(20-8-4-3-5-9-20)27(33)21-10-12-22(30)13-11-21/h10-13,15,19-20H,3-9,14,16-18H2,1-2H3,(H,35,36)