ethyl 2-[1-(1-benzothiophen-5-ylmethyl)-5-bromanyl-2-ethoxycarbonyloxy-2-[(pentanoylamino)methyl]cyclopentyl]benzoate

Systemtic Name: ethyl 2-[1-(1-benzothiophen-5-ylmethyl)-5-bromanyl-2-ethoxycarbonyloxy-2-[(pentanoylamino)methyl]cyclopentyl]benzoate Openeye Name: ethyl 2-[1-(benzothiophen-5-ylmethyl)-5-bromo-2-ethoxycarbonyloxy-2-[(pentanoylamino)methyl]cyclopentyl]benzoate CAS Name: 2-[1-(1-benzothiophen-5-ylmethyl)-5-bromo-2-ethoxycarbonyloxy-2-[(1-oxopentylamino)methyl]cyclopentyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1-benzothiophen-5-ylmethyl)-5-bromo-2-ethoxycarbonyloxy-2-[(pentanoylamino)methyl]cyclopentyl]benzoate Traditional Name: 2-[1-(benzothiophen-5-ylmethyl)-5-bromo-2-carbethoxyoxy-2-[(valerylamino)methyl]cyclopentyl]benzoic acid ethyl ester Formula: C32H38BrNO6S MolecularWeight: 644.61622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC1(CCC(C1(CC2=CC3=C(C=C2)SC=C3)C4=CC=CC=C4C(=O)OCC)Br)OC(=O)OCC

Isomeric SMILES

CCCCC(=O)NCC1(CCC(C1(CC2=CC3=C(C=C2)SC=C3)C4=CC=CC=C4C(=O)OCC)Br)OC(=O)OCC

InChI

InChI=1S/C32H38BrNO6S/c1-4-7-12-28(35)34-21-31(40-30(37)39-6-3)17-15-27(33)32(31,20-22-13-14-26-23(19-22)16-18-41-26)25-11-9-8-10-24(25)29(36)38-5-2/h8-11,13-14,16,18-19,27H,4-7,12,15,17,20-21H2,1-3H3,(H,34,35)