S-[(2S)-2-methyl-3-oxidanylidene-3-[(2S)-2-[(1-phenylpiperidin-4-yl)carbamoyl]pyrrolidin-1-yl]propyl] ethanethioate

Systemtic Name: S-[(2S)-2-methyl-3-oxidanylidene-3-[(2S)-2-[(1-phenylpiperidin-4-yl)carbamoyl]pyrrolidin-1-yl]propyl] ethanethioate Openeye Name: S-[(2S)-2-methyl-3-oxo-3-[(2S)-2-[(1-phenyl-4-piperidyl)carbamoyl]pyrrolidin-1-yl]propyl] ethanethioate CAS Name: ethanethioic acid S-[(2S)-2-methyl-3-oxo-3-[(2S)-2-[oxo-[(1-phenyl-4-piperidinyl)amino]methyl]-1-pyrrolidinyl]propyl] ester IUPAC Name: S-[(2S)-2-methyl-3-oxo-3-[(2S)-2-[(1-phenylpiperidin-4-yl)carbamoyl]pyrrolidin-1-yl]propyl] ethanethioate Traditional Name: ethanethioic acid S-[(2S)-3-keto-2-methyl-3-[(2S)-2-[(1-phenyl-4-piperidyl)carbamoyl]pyrrolidino]propyl] ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)NC2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H31N3O3S/c1-16(15-29-17(2)26)22(28)25-12-6-9-20(25)21(27)23-18-10-13-24(14-11-18)19-7-4-3-5-8-19/h3-5,7-8,16,18,20H,6,9-15H2,1-2H3,(H,23,27)/t16-,20+/m1/s1