methyl 2-(1,2-oxazol-3-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(1,2-oxazol-3-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(isoxazol-3-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-isoxazolylamino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,2-oxazol-3-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(isoxazol-3-ylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=NOC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=NOC=C3

InChI

InChI=1S/C13H13N3O3S2/c1-18-12(17)10-7-3-2-4-8(7)21-11(10)15-13(20)14-9-5-6-19-16-9/h5-6H,2-4H2,1H3,(H2,14,15,16,20)