[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]acetate CAS Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]acetate Traditional Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H27NO4S2 MolecularWeight: 397.55198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)COC1=CC=C(C=C1)C2SCCCS2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)COC1=CC=C(C=C1)C2SCCCS2

InChI

InChI=1S/C19H27NO4S2/c1-3-15(4-2)20-17(21)12-24-18(22)13-23-16-8-6-14(7-9-16)19-25-10-5-11-26-19/h6-9,15,19H,3-5,10-13H2,1-2H3,(H,20,21)