N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-thiophen-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-thiophen-2-ylsulfanyl-ethanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2-thienylsulfanyl)acetamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(thiophen-2-ylthio)acetamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylsulfanylacetamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(2-thienylthio)acetamide Formula: C18H22N2O4S3 MolecularWeight: 426.57328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=CC=CS2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=CC=CS2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H22N2O4S3/c1-2-24-15-8-7-14(19-17(21)13-26-18-6-5-11-25-18)12-16(15)27(22,23)20-9-3-4-10-20/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,19,21)