methyl 2-[methyl-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino]ethanoate

Systemtic Name: methyl 2-[methyl-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino]ethanoate Openeye Name: methyl 2-[(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-methyl-amino]acetate CAS Name: 2-[methyl-[3-(phenylmethylthio)-1,2,4-thiadiazol-5-yl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate Traditional Name: 2-[[3-(benzylthio)-1,2,4-thiadiazol-5-yl]-methyl-amino]acetic acid methyl ester Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C1=NC(=NS1)SCC2=CC=CC=C2

Isomeric SMILES

CN(CC(=O)OC)C1=NC(=NS1)SCC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2S2/c1-16(8-11(17)18-2)13-14-12(15-20-13)19-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3