ethyl 3-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]propanoate

Systemtic Name: ethyl 3-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]propanoate Openeye Name: ethyl 3-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]propanoate CAS Name: 3-[5-(1,3-benzothiazol-2-ylthio)-1,3,4-thiadiazol-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]propanoate Traditional Name: 3-[5-(1,3-benzothiazol-2-ylthio)-1,3,4-thiadiazol-2-yl]propionic acid ethyl ester Formula: C14H13N3O2S3 MolecularWeight: 351.46692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NN=C(S1)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CCC1=NN=C(S1)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H13N3O2S3/c1-2-19-12(18)8-7-11-16-17-14(21-11)22-13-15-9-5-3-4-6-10(9)20-13/h3-6H,2,7-8H2,1H3