methyl 2-(2-methylpropanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-methylpropanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(2-methylpropanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylpropanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(isobutyrylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OC

InChI

InChI=1S/C14H18N2O3S2/c1-7(2)11(17)15-14(20)16-12-10(13(18)19-3)8-5-4-6-9(8)21-12/h7H,4-6H2,1-3H3,(H2,15,16,17,20)