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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H23ClN2O6S MolecularWeight: 478.94582

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H23ClN2O6S/c1-32-9-8-17(25-21(27)15-4-2-3-5-16(15)23)22(28)29-12-20(26)24-11-14-6-7-18-19(10-14)31-13-30-18/h2-7,10,17H,8-9,11-13H2,1H3,(H,24,26)(H,25,27)