[1-[methyl-(4-methylphenyl)sulfonyl-amino]-3-sulfanylidene-propan-2-yl] 2-phenoxyethanoate

Systemtic Name: [1-[methyl-(4-methylphenyl)sulfonyl-amino]-3-sulfanylidene-propan-2-yl] 2-phenoxyethanoate Openeye Name: [1-methanethioyl-2-[methyl(p-tolylsulfonyl)amino]ethyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [1-[methyl-(4-methylphenyl)sulfonylamino]-3-sulfanylidenepropan-2-yl] ester IUPAC Name: [1-[methyl-(4-methylphenyl)sulfonylamino]-3-sulfanylidenepropan-2-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [1-[[methyl(tosyl)amino]methyl]-2-thioxo-ethyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(C=S)OC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(C=S)OC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C19H21NO5S2/c1-15-8-10-18(11-9-15)27(22,23)20(2)12-17(14-26)25-19(21)13-24-16-6-4-3-5-7-16/h3-11,14,17H,12-13H2,1-2H3