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

Systemtic Name: ethyl 2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(2-oxo-1-pyrrolidinyl)propylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(2-ketopyrrolidino)propylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-2-27-20(26)16-14-17(15-8-4-3-5-9-15)29-19(16)23-21(28)22-11-7-13-24-12-6-10-18(24)25/h3-5,8-9,14H,2,6-7,10-13H2,1H3,(H2,22,23,28)