ethyl 5-methyl-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[3-(2-oxo-1-pyrrolidinyl)propylamino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(2-ketopyrrolidino)propylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCCCN3CCCC3=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCCCN3CCCC3=O

InChI

InChI=1S/C22H27N3O3S2/c1-3-28-21(27)19-18(16-9-5-4-6-10-16)15(2)30-20(19)24-22(29)23-12-8-14-25-13-7-11-17(25)26/h4-6,9-10H,3,7-8,11-14H2,1-2H3,(H2,23,24,29)