[2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] 2,4-dinitrobenzoate

Systemtic Name: [2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] 2,4-dinitrobenzoate Openeye Name: [2-(4-hydroxyphenyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-6-yl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [2-(4-hydroxyphenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl] ester IUPAC Name: [2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-6-yl] ester Formula: C35H29N3O9S MolecularWeight: 667.68446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)OC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])C6=CC=C(C=C6)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)OC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])C6=CC=C(C=C6)O

InChI

InChI=1S/C35H29N3O9S/c39-25-9-4-23(5-10-25)34-32(33(40)22-6-11-26(12-7-22)46-19-18-36-16-2-1-3-17-36)29-15-13-27(21-31(29)48-34)47-35(41)28-14-8-24(37(42)43)20-30(28)38(44)45/h4-15,20-21,39H,1-3,16-19H2