methyl 4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]benzoate

Systemtic Name: methyl 4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]benzoate Openeye Name: methyl 4-[6-hydroxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]benzoate CAS Name: 4-[6-hydroxy-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]benzoate Traditional Name: 4-[6-hydroxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]benzoic acid methyl ester Formula: C30H29NO5S MolecularWeight: 515.61996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C30H29NO5S/c1-35-30(34)22-7-5-21(6-8-22)29-27(25-14-11-23(32)19-26(25)37-29)28(33)20-9-12-24(13-10-20)36-18-17-31-15-3-2-4-16-31/h5-14,19,32H,2-4,15-18H2,1H3