methyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=C(C2=C(S1)CCC2)C#N

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=C(C2=C(S1)CCC2)C#N

InChI

InChI=1S/C14H15N3O3S2/c1-20-12(19)6-5-11(18)16-14(21)17-13-9(7-15)8-3-2-4-10(8)22-13/h2-6H2,1H3,(H2,16,17,18,21)