6-oxidanyl-2-(phenylmethyl)-1,3-benzothiazole-5-carboxylate

Systemtic Name: 6-oxidanyl-2-(phenylmethyl)-1,3-benzothiazole-5-carboxylate Openeye Name: 2-benzyl-6-hydroxy-1,3-benzothiazole-5-carboxylate CAS Name: 6-hydroxy-2-(phenylmethyl)-1,3-benzothiazole-5-carboxylate IUPAC Name: 2-benzyl-6-hydroxy-1,3-benzothiazole-5-carboxylate Traditional Name: 2-benzyl-6-hydroxy-1,3-benzothiazole-5-carboxylate Formula: C15H10NO3S- MolecularWeight: 284.3098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO3S/c17-12-8-13-11(7-10(12)15(18)19)16-14(20-13)6-9-4-2-1-3-5-9/h1-5,7-8,17H,6H2,(H,18,19)/p-1