methyl 4-oxidanylidene-4-[(thiophen-2-ylcarbonylamino)carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(thiophen-2-ylcarbonylamino)carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[(thiophene-2-carbonylamino)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(thiophene-2-carbonylamino)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(2-thenoylamino)thiocarbamoylamino]butyric acid methyl ester Formula: C11H13N3O4S2 MolecularWeight: 315.36862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CS1

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CS1

InChI

InChI=1S/C11H13N3O4S2/c1-18-9(16)5-4-8(15)12-11(19)14-13-10(17)7-3-2-6-20-7/h2-3,6H,4-5H2,1H3,(H,13,17)(H2,12,14,15,19)