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

Systemtic Name: S-[(2S)-2-methyl-3-oxidanylidene-3-[(2S)-2-(4-phenylpiperidin-1-yl)carbonylpyrrolidin-1-yl]propyl] ethanethioate Openeye Name: S-[(2S)-2-methyl-3-oxo-3-[(2S)-2-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]propyl] ethanethioate CAS Name: ethanethioic acid S-[(2S)-2-methyl-3-oxo-3-[(2S)-2-[oxo-(4-phenyl-1-piperidinyl)methyl]-1-pyrrolidinyl]propyl] ester IUPAC Name: S-[(2S)-2-methyl-3-oxo-3-[(2S)-2-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]propyl] ethanethioate Traditional Name: ethanethioic acid S-[(2S)-3-keto-2-methyl-3-[(2S)-2-(4-phenylpiperidine-1-carbonyl)pyrrolidino]propyl] ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)N2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)N2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H30N2O3S/c1-16(15-28-17(2)25)21(26)24-12-6-9-20(24)22(27)23-13-10-19(11-14-23)18-7-4-3-5-8-18/h3-5,7-8,16,19-20H,6,9-15H2,1-2H3/t16-,20+/m1/s1