[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C12H18N4O3S2 MolecularWeight: 330.42632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CSC2=NN=C(S2)N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C12H18N4O3S2/c13-11-14-15-12(21-11)20-8-10(18)19-7-9(17)16-5-3-1-2-4-6-16/h1-8H2,(H2,13,14)