S-[(2R)-3-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[(2R)-3-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[(2R)-3-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-methyl-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2R)-3-[(2S)-2-carbamoyl-1-pyrrolidinyl]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[(2R)-3-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-methyl-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2R)-3-[(2S)-2-carbamoylpyrrolidino]-3-keto-2-methyl-propyl] ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)N

Isomeric SMILES

C[C@@H](CSC(=O)C1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N

InChI

InChI=1S/C16H20N2O3S/c1-11(10-22-16(21)12-6-3-2-4-7-12)15(20)18-9-5-8-13(18)14(17)19/h2-4,6-7,11,13H,5,8-10H2,1H3,(H2,17,19)/t11-,13-/m0/s1