3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)propanoate

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)propanoate Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)-2-[(1,3-benzothiazol-2-ylthio)methyl]propanoate IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-2-[(1,3-benzothiazol-2-ylthio)methyl]propionate Formula: C18H13N2O2S4- MolecularWeight: 417.56802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(CSC3=NC4=CC=CC=C4S3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(CSC3=NC4=CC=CC=C4S3)C(=O)[O-]

InChI

InChI=1S/C18H14N2O2S4/c21-16(22)11(9-23-17-19-12-5-1-3-7-14(12)25-17)10-24-18-20-13-6-2-4-8-15(13)26-18/h1-8,11H,9-10H2,(H,21,22)/p-1