2-[(4-methylphenyl)methyl]-1,3-benzothiazole-6-carboxylate

Systemtic Name: 2-[(4-methylphenyl)methyl]-1,3-benzothiazole-6-carboxylate Openeye Name: 2-(p-tolylmethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-methylphenyl)methyl]-1,3-benzothiazole-6-carboxylate IUPAC Name: 2-[(4-methylphenyl)methyl]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-methylbenzyl)-1,3-benzothiazole-6-carboxylate Formula: C16H12NO2S- MolecularWeight: 282.33698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC3=C(S2)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=C(S2)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H13NO2S/c1-10-2-4-11(5-3-10)8-15-17-13-7-6-12(16(18)19)9-14(13)20-15/h2-7,9H,8H2,1H3,(H,18,19)/p-1