3-[[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)thiazol-2-yl]sulfanylpropanoic acid CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-2-thiazolyl]thio]propanoic acid IUPAC Name: 3-[[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-(1,3-benzothiazol-2-yl)thiazol-2-yl]thio]propionic acid Formula: C13H10N2O2S3 MolecularWeight: 322.4257

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CSC(=N3)SCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CSC(=N3)SCCC(=O)O

InChI

InChI=1S/C13H10N2O2S3/c16-11(17)5-6-18-13-15-9(7-19-13)12-14-8-3-1-2-4-10(8)20-12/h1-4,7H,5-6H2,(H,16,17)