ethyl 3-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethanoylcarbamothioylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethanoylcarbamothioylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]carbamothioylamino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[[[2-(2,5-dioxo-1-pyrrolidinyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]carbamothioylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 5-phenyl-3-[(2-succinimidoacetyl)thiocarbamoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=S)NC(=O)CN3C(=O)CCC3=O

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=S)NC(=O)CN3C(=O)CCC3=O

InChI

InChI=1S/C20H19N3O5S2/c1-2-28-19(27)18-13(10-14(30-18)12-6-4-3-5-7-12)21-20(29)22-15(24)11-23-16(25)8-9-17(23)26/h3-7,10H,2,8-9,11H2,1H3,(H2,21,22,24,29)