[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanylbenzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-[2-(1-ethylpropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]thio]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-ethylpropylamino)-2-keto-ethyl]thio]benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H32N2O4S MolecularWeight: 408.55478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC(CC)CC

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC(CC)CC

InChI

InChI=1S/C21H32N2O4S/c1-5-15(6-2)22-19(24)13-27-21(26)17-11-9-10-12-18(17)28-14-20(25)23-16(7-3)8-4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,22,24)(H,23,25)