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

Systemtic Name: ethyl (2S)-2-[[5-(thiophen-2-ylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: ethyl (2S)-2-[[5-(2-thienylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[5-[[oxo-(thiophen-2-ylamino)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-(thiophen-2-ylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[5-(2-thienylcarbamoylamino)-1,3,4-thiadiazol-2-yl]thio]propionic acid ethyl ester Formula: C12H14N4O3S3 MolecularWeight: 358.45956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NN=C(S1)NC(=O)NC2=CC=CS2

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=NN=C(S1)NC(=O)NC2=CC=CS2

InChI

InChI=1S/C12H14N4O3S3/c1-3-19-9(17)7(2)21-12-16-15-11(22-12)14-10(18)13-8-5-4-6-20-8/h4-7H,3H2,1-2H3,(H2,13,14,15,18)/t7-/m0/s1