[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C23H25ClN2O6S MolecularWeight: 492.9724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C(CCSC)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C(CCSC)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H25ClN2O6S/c1-14(21(27)25-12-15-3-8-19-20(11-15)31-13-30-19)32-23(29)18(9-10-33-2)26-22(28)16-4-6-17(24)7-5-16/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,25,27)(H,26,28)