ethyl 2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[3-(2-oxo-1-pyrrolidinyl)propylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[3-(2-ketopyrrolidino)propylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H27N3O3S2 MolecularWeight: 445.59808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCCN3CCCC3=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCCN3CCCC3=O

InChI

InChI=1S/C22H27N3O3S2/c1-2-28-21(27)18-15-17(14-16-8-4-3-5-9-16)30-20(18)24-22(29)23-11-7-13-25-12-6-10-19(25)26/h3-5,8-9,15H,2,6-7,10-14H2,1H3,(H2,23,24,29)