S-[2-methyl-3-oxidanylidene-3-[(2S)-2-[[(2R)-2-oxidanyl-1-phenyl-cyclohexyl]carbamoyl]pyrrolidin-1-yl]propyl] ethanethioate

Systemtic Name: S-[2-methyl-3-oxidanylidene-3-[(2S)-2-[[(2R)-2-oxidanyl-1-phenyl-cyclohexyl]carbamoyl]pyrrolidin-1-yl]propyl] ethanethioate Openeye Name: S-[3-[(2S)-2-[[(2R)-2-hydroxy-1-phenyl-cyclohexyl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[(2S)-2-[[[(2R)-2-hydroxy-1-phenylcyclohexyl]amino]-oxomethyl]-1-pyrrolidinyl]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[(2S)-2-[[(2R)-2-hydroxy-1-phenylcyclohexyl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(2S)-2-[[(2R)-2-hydroxy-1-phenyl-cyclohexyl]carbamoyl]pyrrolidino]-3-keto-2-methyl-propyl] ester Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC2(CCCCC2O)C3=CC=CC=C3

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)NC2(CCCC[C@H]2O)C3=CC=CC=C3

InChI

InChI=1S/C23H32N2O4S/c1-16(15-30-17(2)26)22(29)25-14-8-11-19(25)21(28)24-23(13-7-6-12-20(23)27)18-9-4-3-5-10-18/h3-5,9-10,16,19-20,27H,6-8,11-15H2,1-2H3,(H,24,28)/t16?,19-,20+,23?/m0/s1