[2-(hexylamino)-2-oxidanylidene-ethyl] 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethanoate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethanoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetate CAS Name: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]acetic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetate Traditional Name: 2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thio]acetic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C12H19N3O3S3 MolecularWeight: 349.49256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)CSC1=NNC(=S)S1

Isomeric SMILES

CCCCCCNC(=O)COC(=O)CSC1=NNC(=S)S1

InChI

InChI=1S/C12H19N3O3S3/c1-2-3-4-5-6-13-9(16)7-18-10(17)8-20-12-15-14-11(19)21-12/h2-8H2,1H3,(H,13,16)(H,14,19)