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

Systemtic Name: S-[(2R)-2-methyl-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[(2R)-2-methyl-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2R)-2-methyl-3-[(2S)-2-(methylcarbamoyl)-1-pyrrolidinyl]-3-oxopropyl] ester IUPAC Name: S-[(2R)-2-methyl-3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2R)-3-keto-2-methyl-3-[(2S)-2-(methylcarbamoyl)pyrrolidino]propyl] ester Formula: C17H22N2O3S MolecularWeight: 334.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-12(11-23-17(22)13-7-4-3-5-8-13)16(21)19-10-6-9-14(19)15(20)18-2/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,18,20)/t12-,14-/m0/s1