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

Systemtic Name: S-[(2S)-3-[2-(4-cyano-4-phenyl-piperidin-1-yl)carbonylpyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[(2S)-3-[2-(4-cyano-4-phenyl-piperidine-1-carbonyl)pyrrolidin-1-yl]-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[(2S)-3-[2-[(4-cyano-4-phenyl-1-piperidinyl)-oxomethyl]-1-pyrrolidinyl]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[(2S)-3-[2-(4-cyano-4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[(2S)-3-[2-(4-cyano-4-phenyl-piperidine-1-carbonyl)pyrrolidino]-3-keto-2-methyl-propyl] ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CSC(=O)C)C(=O)N1CCCC1C(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-17(15-30-18(2)27)21(28)26-12-6-9-20(26)22(29)25-13-10-23(16-24,11-14-25)19-7-4-3-5-8-19/h3-5,7-8,17,20H,6,9-15H2,1-2H3/t17-,20?/m1/s1