methyl 4-oxidanylidene-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-oxidanylidene-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate Openeye Name: methyl 4-oxo-4-(thiazol-2-ylcarbamothioylamino)butanoate CAS Name: 4-oxo-4-[[sulfanylidene-(2-thiazolylamino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(thiazol-2-ylthiocarbamoylamino)butyric acid methyl ester Formula: C9H11N3O3S2 MolecularWeight: 273.33194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=NC=CS1

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=NC=CS1

InChI

InChI=1S/C9H11N3O3S2/c1-15-7(14)3-2-6(13)11-8(16)12-9-10-4-5-17-9/h4-5H,2-3H2,1H3,(H2,10,11,12,13,16)