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

Systemtic Name: methyl 3-(1,3-benzothiazol-2-ylsulfanyl)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)propanoate Openeye Name: methyl 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]propanoic acid methyl ester IUPAC Name: methyl 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]propionic acid methyl ester Formula: C19H16N2O2S4 MolecularWeight: 432.60254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC1=NC2=CC=CC=C2S1)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C(CSC1=NC2=CC=CC=C2S1)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16N2O2S4/c1-23-17(22)12(10-24-18-20-13-6-2-4-8-15(13)26-18)11-25-19-21-14-7-3-5-9-16(14)27-19/h2-9,12H,10-11H2,1H3