1,3-benzothiazol-2-ylmethyl 3-methyl-2-oxidanyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-2-oxidanyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13NO3S/c1-10-5-4-6-11(15(10)18)16(19)20-9-14-17-12-7-2-3-8-13(12)21-14/h2-8,18H,9H2,1H3