[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-13(2)8-9-21-20(26)22-18(24)11-27-19(25)16-6-4-5-7-17(16)29-12-15-10-14(3)28-23-15/h4-7,10,13H,8-9,11-12H2,1-3H3,(H2,21,22,24,26)