[2-cyclohexyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] benzoate

Systemtic Name: [2-cyclohexyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] benzoate Openeye Name: [2-cyclohexyl-3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]benzothiophen-6-yl] benzoate CAS Name: benzoic acid [2-cyclohexyl-3-[oxo-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl] ester IUPAC Name: [2-cyclohexyl-3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl] benzoate Traditional Name: benzoic acid [2-cyclohexyl-3-[4-(2-pyrrolidinoethoxy)benzoyl]benzothiophen-6-yl] ester Formula: C34H35NO4S MolecularWeight: 553.711

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)OCCN6CCCC6

Isomeric SMILES

C1CCC(CC1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)OCCN6CCCC6

InChI

InChI=1S/C34H35NO4S/c36-32(24-13-15-27(16-14-24)38-22-21-35-19-7-8-20-35)31-29-18-17-28(39-34(37)26-11-5-2-6-12-26)23-30(29)40-33(31)25-9-3-1-4-10-25/h2,5-6,11-18,23,25H,1,3-4,7-10,19-22H2