[2-oxidanylidene-2-(propylamino)ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]benzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H22N2O6S/c1-2-9-22-19(24)11-27-21(26)15-5-3-4-6-18(15)30-12-20(25)23-14-7-8-16-17(10-14)29-13-28-16/h3-8,10H,2,9,11-13H2,1H3,(H,22,24)(H,23,25)