[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H16N2O5S2 MolecularWeight: 392.44934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C17H16N2O5S2/c1-11(15(20)19-16-14(9-18)6-7-25-16)24-17(21)13-5-3-4-12(8-13)10-26(2,22)23/h3-8,11H,10H2,1-2H3,(H,19,20)/t11-/m1/s1