tert-butyl 2-[1-[(2S)-1-(4-carbamothioylphenyl)carbonyl-2-methyl-pyrrolidin-2-yl]carbonylpiperidin-4-yl]oxyethanoate

Systemtic Name: tert-butyl 2-[1-[(2S)-1-(4-carbamothioylphenyl)carbonyl-2-methyl-pyrrolidin-2-yl]carbonylpiperidin-4-yl]oxyethanoate Openeye Name: tert-butyl 2-[[1-[(2S)-1-(4-carbamothioylbenzoyl)-2-methyl-pyrrolidine-2-carbonyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[[(2S)-1-[(4-carbamothioylphenyl)-oxomethyl]-2-methyl-2-pyrrolidinyl]-oxomethyl]-4-piperidinyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[(2S)-1-(4-carbamothioylbenzoyl)-2-methylpyrrolidine-2-carbonyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[(2S)-2-methyl-1-(4-thiocarbamoylbenzoyl)prolyl]-4-piperidyl]oxy]acetic acid tert-butyl ester Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1C(=O)C2=CC=C(C=C2)C(=S)N)C(=O)N3CCC(CC3)OCC(=O)OC(C)(C)C

Isomeric SMILES

C[C@]1(CCCN1C(=O)C2=CC=C(C=C2)C(=S)N)C(=O)N3CCC(CC3)OCC(=O)OC(C)(C)C

InChI

InChI=1S/C25H35N3O5S/c1-24(2,3)33-20(29)16-32-19-10-14-27(15-11-19)23(31)25(4)12-5-13-28(25)22(30)18-8-6-17(7-9-18)21(26)34/h6-9,19H,5,10-16H2,1-4H3,(H2,26,34)/t25-/m0/s1