5-(dimethylcarbamoylamino)-3-prop-2-ynylsulfanyl-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(dimethylcarbamoylamino)-3-prop-2-ynylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(dimethylcarbamoylamino)-3-prop-2-ynylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-(prop-2-ynylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-prop-2-ynylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(dimethylcarbamoylamino)-3-(propargylthio)isothiazole-4-carboxylic acid Formula: C10H11N3O3S2 MolecularWeight: 285.34264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C(=NS1)SCC#C)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=NS1)SCC#C)C(=O)O

InChI

InChI=1S/C10H11N3O3S2/c1-4-5-17-8-6(9(14)15)7(18-12-8)11-10(16)13(2)3/h1H,5H2,2-3H3,(H,11,16)(H,14,15)