3-[methyl-(4-methylsulfanylpyrrolidin-2-yl)carbonyl-amino]benzoic acid

Systemtic Name: 3-[methyl-(4-methylsulfanylpyrrolidin-2-yl)carbonyl-amino]benzoic acid Openeye Name: 3-[methyl-(4-methylsulfanylpyrrolidine-2-carbonyl)amino]benzoic acid CAS Name: 3-[methyl-[[4-(methylthio)-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[methyl-(4-methylsulfanylpyrrolidine-2-carbonyl)amino]benzoic acid Traditional Name: 3-[methyl-[4-(methylthio)prolyl]amino]benzoic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC(=C1)C(=O)O)C(=O)C2CC(CN2)SC

Isomeric SMILES

CN(C1=CC=CC(=C1)C(=O)O)C(=O)C2CC(CN2)SC

InChI

InChI=1S/C14H18N2O3S/c1-16(10-5-3-4-9(6-10)14(18)19)13(17)12-7-11(20-2)8-15-12/h3-6,11-12,15H,7-8H2,1-2H3,(H,18,19)