ethyl 2-[[5-(2-thiomorpholin-4-ium-4-ylethanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-(2-thiomorpholin-4-ium-4-ylethanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[1-oxo-2-(4-thiomorpholin-4-iumyl)ethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C12H19N4O3S3+ MolecularWeight: 363.49926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C[NH+]2CCSCC2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C[NH+]2CCSCC2

InChI

InChI=1S/C12H18N4O3S3/c1-2-19-10(18)8-21-12-15-14-11(22-12)13-9(17)7-16-3-5-20-6-4-16/h2-8H2,1H3,(H,13,14,17)/p+1