[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OCC(=O)NC(=O)NCC(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OCC(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C20H25N3O5S/c1-12(2)9-21-20(26)22-18(24)10-27-19(25)15-7-5-6-8-17(15)29-11-16-13(3)23-28-14(16)4/h5-8,12H,9-11H2,1-4H3,(H2,21,22,24,26)