tert-butyl N-[1-[4-(quinolin-2-ylsulfanylmethyl)phenyl]carbonylpyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[4-(quinolin-2-ylsulfanylmethyl)phenyl]carbonylpyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[4-(2-quinolylsulfanylmethyl)benzoyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[oxo-[4-[(2-quinolinylthio)methyl]phenyl]methyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-(quinolin-2-ylsulfanylmethyl)benzoyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[4-[(2-quinolylthio)methyl]benzoyl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H29N3O3S/c1-26(2,3)32-25(31)27-21-14-15-29(16-21)24(30)20-10-8-18(9-11-20)17-33-23-13-12-19-6-4-5-7-22(19)28-23/h4-13,21H,14-17H2,1-3H3,(H,27,31)