tert-butyl 2-[(3-methoxycarbonylphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(3-methoxycarbonylphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(3-methoxycarbonylphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(3-methoxycarbonylphenyl)thio]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-methoxycarbonylphenyl)sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[(3-carbomethoxyphenyl)thio]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1CSC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1CSC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C18H25NO4S/c1-18(2,3)23-17(21)19-10-6-8-14(19)12-24-15-9-5-7-13(11-15)16(20)22-4/h5,7,9,11,14H,6,8,10,12H2,1-4H3