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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[(thiophen-2-ylcarbonylamino)carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[(thiophene-2-carbonylamino)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[(thiophene-2-carbonylamino)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(2-thenoylamino)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C13H17N3O5S2 MolecularWeight: 359.42118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5S2/c1-20-6-7-21-11(18)5-4-10(17)14-13(22)16-15-12(19)9-3-2-8-23-9/h2-3,8H,4-7H2,1H3,(H,15,19)(H2,14,16,17,22)