[1-(aminomethyl)-2-(1-benzothiophen-5-ylmethyl)-2-(2-cyanophenyl)cyclopentyl] ethyl carbonate

Systemtic Name: [1-(aminomethyl)-2-(1-benzothiophen-5-ylmethyl)-2-(2-cyanophenyl)cyclopentyl] ethyl carbonate Openeye Name: [1-(aminomethyl)-2-(benzothiophen-5-ylmethyl)-2-(2-cyanophenyl)cyclopentyl] ethyl carbonate CAS Name: carbonic acid [1-(aminomethyl)-2-(1-benzothiophen-5-ylmethyl)-2-(2-cyanophenyl)cyclopentyl] ethyl ester IUPAC Name: [1-(aminomethyl)-2-(1-benzothiophen-5-ylmethyl)-2-(2-cyanophenyl)cyclopentyl] ethyl carbonate Traditional Name: carbonic acid [1-(aminomethyl)-2-(benzothiophen-5-ylmethyl)-2-(2-cyanophenyl)cyclopentyl] ethyl ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1(CCCC1(CC2=CC3=C(C=C2)SC=C3)C4=CC=CC=C4C#N)CN

Isomeric SMILES

CCOC(=O)OC1(CCCC1(CC2=CC3=C(C=C2)SC=C3)C4=CC=CC=C4C#N)CN

InChI

InChI=1S/C25H26N2O3S/c1-2-29-23(28)30-25(17-27)12-5-11-24(25,21-7-4-3-6-20(21)16-26)15-18-8-9-22-19(14-18)10-13-31-22/h3-4,6-10,13-14H,2,5,11-12,15,17,27H2,1H3