tert-butyl (2S,4R)-4-[(5-chloranylthiophen-2-yl)carbonylamino]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4R)-4-[(5-chloranylthiophen-2-yl)carbonylamino]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]-2-(1-pyrrolidinylmethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-(pyrrolidinomethyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H28ClN3O3S MolecularWeight: 413.96192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1CN2CCCC2)NC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1CN2CCCC2)NC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H28ClN3O3S/c1-19(2,3)26-18(25)23-11-13(10-14(23)12-22-8-4-5-9-22)21-17(24)15-6-7-16(20)27-15/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,21,24)/t13-,14+/m1/s1