2-[(2-bromophenyl)methylsulfanyl]-1,3-benzoxazole-5-carboxylic acid

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-1,3-benzoxazole-5-carboxylic acid Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-1,3-benzoxazole-5-carboxylic acid CAS Name: 2-[(2-bromophenyl)methylthio]-1,3-benzoxazole-5-carboxylic acid IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-1,3-benzoxazole-5-carboxylic acid Traditional Name: 2-[(2-bromobenzyl)thio]-1,3-benzoxazole-5-carboxylic acid Formula: C15H10BrNO3S MolecularWeight: 364.2138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(O2)C=CC(=C3)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(O2)C=CC(=C3)C(=O)O)Br

InChI

InChI=1S/C15H10BrNO3S/c16-11-4-2-1-3-10(11)8-21-15-17-12-7-9(14(18)19)5-6-13(12)20-15/h1-7H,8H2,(H,18,19)