methyl 3-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethanoylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethanoylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-[[[[2-(2,5-dioxo-1-pyrrolidinyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(2-succinimidoacetyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NC(=O)CN3C(=O)CCC3=O

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=S)NC(=O)CN3C(=O)CCC3=O

InChI

InChI=1S/C17H15N3O5S2/c1-25-16(24)15-14(9-4-2-3-5-10(9)27-15)19-17(26)18-11(21)8-20-12(22)6-7-13(20)23/h2-5H,6-8H2,1H3,(H2,18,19,21,26)