methyl 2-[[2-(1-methylpyrrol-2-yl)ethanoylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(1-methylpyrrol-2-yl)ethanoylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[2-(1-methyl-2-pyrrolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC(=O)NNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CN1C=CC=C1CC(=O)NNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C17H20N4O3S2/c1-21-8-4-5-10(21)9-13(22)19-20-17(25)18-15-14(16(23)24-2)11-6-3-7-12(11)26-15/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,22)(H2,18,20,25)