1,3-benzothiazol-2-ylmethyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H17NO3S2 MolecularWeight: 371.47318

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO3S2/c1-24-14-8-6-13(7-9-14)16(21)10-11-19(22)23-12-18-20-15-4-2-3-5-17(15)25-18/h2-9H,10-12H2,1H3