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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[3-(2-oxo-1-pyrrolidinyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[3-(2-ketopyrrolidino)propylthiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H30N4O4S2 MolecularWeight: 454.6066

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCCN2CCCC2=O)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCCN2CCCC2=O)C(=O)OC)C

InChI

InChI=1S/C20H30N4O4S2/c1-5-23(6-2)18(26)16-13(3)15(19(27)28-4)17(30-16)22-20(29)21-10-8-12-24-11-7-9-14(24)25/h5-12H2,1-4H3,(H2,21,22,29)