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

Systemtic Name: ethyl 2-(3-methylbutanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H22N2O3S2 MolecularWeight: 354.48748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C16H22N2O3S2/c1-4-21-15(20)13-10-6-5-7-11(10)23-14(13)18-16(22)17-12(19)8-9(2)3/h9H,4-8H2,1-3H3,(H2,17,18,19,22)