1-[(2,6-dimethylphenyl)carbamothioyl]pyrrolidine-2-carboxylate

Systemtic Name: 1-[(2,6-dimethylphenyl)carbamothioyl]pyrrolidine-2-carboxylate Openeye Name: 1-[(2,6-dimethylphenyl)carbamothioyl]pyrrolidine-2-carboxylate CAS Name: 1-[(2,6-dimethylanilino)-sulfanylidenemethyl]-2-pyrrolidinecarboxylate IUPAC Name: 1-[(2,6-dimethylphenyl)carbamothioyl]pyrrolidine-2-carboxylate Traditional Name: 1-[(2,6-dimethylphenyl)thiocarbamoyl]pyrrolidine-2-carboxylate Formula: C14H17N2O2S- MolecularWeight: 277.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N2CCCC2C(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N2CCCC2C(=O)[O-]

InChI

InChI=1S/C14H18N2O2S/c1-9-5-3-6-10(2)12(9)15-14(19)16-8-4-7-11(16)13(17)18/h3,5-6,11H,4,7-8H2,1-2H3,(H,15,19)(H,17,18)/p-1