tert-butyl N-[1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethanoyl]pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethanoyl]pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[2-[2-(benzothiophen-5-yl)ethoxy]acetyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[2-[2-(1-benzothiophen-5-yl)ethoxy]-1-oxoethyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-[2-(1-benzothiophen-5-yl)ethoxy]acetyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[2-[2-(benzothiophen-5-yl)ethoxy]acetyl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)C(=O)COCCC2=CC3=C(C=C2)SC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1)C(=O)COCCC2=CC3=C(C=C2)SC=C3

InChI

InChI=1S/C21H28N2O4S/c1-21(2,3)27-20(25)22-17-6-9-23(13-17)19(24)14-26-10-7-15-4-5-18-16(12-15)8-11-28-18/h4-5,8,11-12,17H,6-7,9-10,13-14H2,1-3H3,(H,22,25)