[2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-[[2-methyl-1-(2-thienyl)propyl]amino]-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-[[2-methyl-1-(2-thienyl)propyl]amino]ethyl] ester Formula: C20H23NO3S3 MolecularWeight: 421.59652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C)C(C1=CC=CS1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C20H23NO3S3/c1-13(2)18(16-4-3-9-25-16)21-17(22)12-24-19(23)14-5-7-15(8-6-14)20-26-10-11-27-20/h3-9,13,18,20H,10-12H2,1-2H3,(H,21,22)