methyl (2S)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate

Systemtic Name: methyl (2S)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: methyl (2S)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]propionic acid methyl ester Formula: C12H15N3O2S3 MolecularWeight: 329.4614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(S1)NCCC2=CC=CS2

Isomeric SMILES

C[C@@H](C(=O)OC)SC1=NN=C(S1)NCCC2=CC=CS2

InChI

InChI=1S/C12H15N3O2S3/c1-8(10(16)17-2)19-12-15-14-11(20-12)13-6-5-9-4-3-7-18-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)/t8-/m0/s1