methyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-phthalimidoacetyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17N3O5S2/c1-28-19(27)15-12-7-4-8-13(12)30-16(15)22-20(29)21-14(24)9-23-17(25)10-5-2-3-6-11(10)18(23)26/h2-3,5-6H,4,7-9H2,1H3,(H2,21,22,24,29)