S-[(2S)-2-methyl-3-oxidanylidene-3-[(2S)-2-(2-pyridin-2-ylpyrrolidin-1-yl)carbonylpyrrolidin-1-yl]propyl] ethanethioate

Systemtic Name: S-[(2S)-2-methyl-3-oxidanylidene-3-[(2S)-2-(2-pyridin-2-ylpyrrolidin-1-yl)carbonylpyrrolidin-1-yl]propyl] ethanethioate Openeye Name: S-[(2S)-2-methyl-3-oxo-3-[(2S)-2-[2-(2-pyridyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propyl] ethanethioate CAS Name: ethanethioic acid S-[(2S)-2-methyl-3-oxo-3-[(2S)-2-[oxo-[2-(2-pyridinyl)-1-pyrrolidinyl]methyl]-1-pyrrolidinyl]propyl] ester IUPAC Name: S-[(2S)-2-methyl-3-oxo-3-[(2S)-2-(2-pyridin-2-ylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl] ethanethioate Traditional Name: ethanethioic acid S-[(2S)-3-keto-2-methyl-3-[(2S)-2-[2-(2-pyridyl)pyrrolidine-1-carbonyl]pyrrolidino]propyl] ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)N2CCCC2C3=CC=CC=N3

Isomeric SMILES

C[C@H](CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)N2CCCC2C3=CC=CC=N3

InChI

InChI=1S/C20H27N3O3S/c1-14(13-27-15(2)24)19(25)23-12-6-9-18(23)20(26)22-11-5-8-17(22)16-7-3-4-10-21-16/h3-4,7,10,14,17-18H,5-6,8-9,11-13H2,1-2H3/t14-,17?,18+/m1/s1