methyl 2-[(3-carbamothioylphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(3-carbamothioylphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(3-carbamothioylphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(3-carbamothioylphenyl)sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamothioylphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 3-methyl-2-[(3-thiocarbamoylphenyl)sulfonylamino]butyric acid methyl ester Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=CC(=C1)C(=S)N

Isomeric SMILES

CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=CC(=C1)C(=S)N

InChI

InChI=1S/C13H18N2O4S2/c1-8(2)11(13(16)19-3)15-21(17,18)10-6-4-5-9(7-10)12(14)20/h4-8,11,15H,1-3H3,(H2,14,20)