[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O6S/c1-14(20(25)23-16-8-9-18-19(12-16)29-13-28-18)30-22(27)17(10-11-31-2)24-21(26)15-6-4-3-5-7-15/h3-9,12,14,17H,10-11,13H2,1-2H3,(H,23,25)(H,24,26)