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

Systemtic Name: methyl 2-(3-methylbutanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(3-methylbutanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylbutanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(isovalerylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S2/c1-8(2)7-11(18)16-15(21)17-13-12(14(19)20-3)9-5-4-6-10(9)22-13/h8H,4-7H2,1-3H3,(H2,16,17,18,21)