[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H24N2O5S2/c1-12(2)20-13(3)10-15(14(20)4)16(21)11-25-17(22)7-8-19-27(23,24)18-6-5-9-26-18/h5-6,9-10,12,19H,7-8,11H2,1-4H3