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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-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-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 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-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O6S/c24-19(22-13-5-6-13)10-27-21(26)15-3-1-2-4-18(15)30-11-20(25)23-14-7-8-16-17(9-14)29-12-28-16/h1-4,7-9,13H,5-6,10-12H2,(H,22,24)(H,23,25)