methyl 4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C15H14ClN3O4S2 MolecularWeight: 399.87236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C15H14ClN3O4S2/c1-23-11(21)7-6-10(20)17-15(24)19-18-14(22)13-12(16)8-4-2-3-5-9(8)25-13/h2-5H,6-7H2,1H3,(H,18,22)(H2,17,19,20,24)