methyl 1-(2-carbamothioylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-(2-carbamothioylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-(2-carbamothioylphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(2-carbamothioylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-carbamothioylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(2-thiocarbamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid methyl ester Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1S(=O)(=O)C2=CC=CC=C2C(=S)N

Isomeric SMILES

COC(=O)C1CCCN1S(=O)(=O)C2=CC=CC=C2C(=S)N

InChI

InChI=1S/C13H16N2O4S2/c1-19-13(16)10-6-4-8-15(10)21(17,18)11-7-3-2-5-9(11)12(14)20/h2-3,5,7,10H,4,6,8H2,1H3,(H2,14,20)