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

Systemtic Name: ethyl 2-[2-(aminomethyl)-1-(1-benzothiophen-5-ylmethyl)-5-bromanyl-2-ethoxycarbonyloxy-cyclopentyl]benzoate Openeye Name: ethyl 2-[2-(aminomethyl)-1-(benzothiophen-5-ylmethyl)-5-bromo-2-ethoxycarbonyloxy-cyclopentyl]benzoate CAS Name: 2-[2-(aminomethyl)-1-(1-benzothiophen-5-ylmethyl)-5-bromo-2-ethoxycarbonyloxycyclopentyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-(aminomethyl)-1-(1-benzothiophen-5-ylmethyl)-5-bromo-2-ethoxycarbonyloxycyclopentyl]benzoate Traditional Name: 2-[2-(aminomethyl)-1-(benzothiophen-5-ylmethyl)-5-bromo-2-carbethoxyoxy-cyclopentyl]benzoic acid ethyl ester Formula: C27H30BrNO5S MolecularWeight: 560.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2(C(CCC2(CN)OC(=O)OCC)Br)CC3=CC4=C(C=C3)SC=C4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2(C(CCC2(CN)OC(=O)OCC)Br)CC3=CC4=C(C=C3)SC=C4

InChI

InChI=1S/C27H30BrNO5S/c1-3-32-24(30)20-7-5-6-8-21(20)27(16-18-9-10-22-19(15-18)12-14-35-22)23(28)11-13-26(27,17-29)34-25(31)33-4-2/h5-10,12,14-15,23H,3-4,11,13,16-17,29H2,1-2H3