tert-butyl (3S,4S)-3-[(5-chloranylthiophen-2-yl)carbonylamino]-4-ethoxy-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4S)-3-[(5-chloranylthiophen-2-yl)carbonylamino]-4-ethoxy-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-ethoxy-pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]-4-ethoxy-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-ethoxypyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-ethoxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H23ClN2O4S MolecularWeight: 374.88282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CC1NC(=O)C2=CC=C(S2)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CCO[C@H]1CN(C[C@@H]1NC(=O)C2=CC=C(S2)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H23ClN2O4S/c1-5-22-11-9-19(15(21)23-16(2,3)4)8-10(11)18-14(20)12-6-7-13(17)24-12/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,20)/t10-,11-/m0/s1