[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H16BrNO5S2 MolecularWeight: 446.33594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C16H16BrNO5S2/c1-11-3-5-12(6-4-11)25(21,22)18(2)9-16(20)23-10-13(19)14-7-8-15(17)24-14/h3-8H,9-10H2,1-2H3