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

Systemtic Name: S-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[(2S)-2-[dimethylamino(oxo)methyl]-1-pyrrolidinyl]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidino]-3-keto-2-methyl-propyl] ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3S/c1-13(12-24-18(23)14-8-5-4-6-9-14)16(21)20-11-7-10-15(20)17(22)19(2)3/h4-6,8-9,13,15H,7,10-12H2,1-3H3/t13?,15-/m0/s1