[2-oxidanylidene-2-(pentylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C17H23NO3S2 MolecularWeight: 353.49942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C17H23NO3S2/c1-2-3-4-9-18-15(19)12-21-16(20)13-5-7-14(8-6-13)17-22-10-11-23-17/h5-8,17H,2-4,9-12H2,1H3,(H,18,19)