methyl 3-[methyl-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]benzoate

Systemtic Name: methyl 3-[methyl-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]benzoate Openeye Name: methyl 3-[methyl-(1-methyl-4-sulfanyl-pyrrolidine-2-carbonyl)amino]benzoate CAS Name: 3-[[(4-mercapto-1-methyl-2-pyrrolidinyl)-oxomethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-[methyl-(1-methyl-4-sulfanylpyrrolidine-2-carbonyl)amino]benzoate Traditional Name: 3-[(4-mercapto-1-methyl-prolyl)-methyl-amino]benzoic acid methyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1C(=O)N(C)C2=CC=CC(=C2)C(=O)OC)S

Isomeric SMILES

CN1CC(CC1C(=O)N(C)C2=CC=CC(=C2)C(=O)OC)S

InChI

InChI=1S/C15H20N2O3S/c1-16-9-12(21)8-13(16)14(18)17(2)11-6-4-5-10(7-11)15(19)20-3/h4-7,12-13,21H,8-9H2,1-3H3