methyl 2-[(4-carbamothioylphenyl)methylsulfonyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[(4-carbamothioylphenyl)methylsulfonyl-methyl-amino]ethanoate Openeye Name: methyl 2-[(4-carbamothioylphenyl)methylsulfonyl-methyl-amino]acetate CAS Name: 2-[(4-carbamothioylphenyl)methylsulfonyl-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(4-carbamothioylphenyl)methylsulfonyl-methylamino]acetate Traditional Name: 2-[methyl-(4-thiocarbamoylbenzyl)sulfonyl-amino]acetic acid methyl ester Formula: C12H16N2O4S2 MolecularWeight: 316.39644

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)S(=O)(=O)CC1=CC=C(C=C1)C(=S)N

Isomeric SMILES

CN(CC(=O)OC)S(=O)(=O)CC1=CC=C(C=C1)C(=S)N

InChI

InChI=1S/C12H16N2O4S2/c1-14(7-11(15)18-2)20(16,17)8-9-3-5-10(6-4-9)12(13)19/h3-6H,7-8H2,1-2H3,(H2,13,19)