1,3-benzothiazol-2-ylmethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H16N2O2S3 MolecularWeight: 412.54824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16N2O2S3/c1-13-11-25-20(21-13)26-12-14-6-2-3-7-15(14)19(23)24-10-18-22-16-8-4-5-9-17(16)27-18/h2-9,11H,10,12H2,1H3