methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid methyl ester Formula: C16H13NO2S2 MolecularWeight: 315.40992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13NO2S2/c1-19-15(18)12-8-6-11(7-9-12)10-20-16-17-13-4-2-3-5-14(13)21-16/h2-9H,10H2,1H3