2-[(4-phenylphenoxy)methyl]-1,3-benzothiazole; propanoic acid

Systemtic Name: 2-[(4-phenylphenoxy)methyl]-1,3-benzothiazole; propanoic acid Openeye Name: 2-[(4-phenylphenoxy)methyl]-1,3-benzothiazole; propionic acid CAS Name: 2-[(4-phenylphenoxy)methyl]-1,3-benzothiazole; propanoic acid IUPAC Name: 2-[(4-phenylphenoxy)methyl]-1,3-benzothiazole; propanoic acid Traditional Name: 2-[(4-phenylphenoxy)methyl]-1,3-benzothiazole; propionic acid Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O.C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(=O)O.C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15NOS.C3H6O2/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)22-14-20-21-18-8-4-5-9-19(18)23-20;1-2-3(4)5/h1-13H,14H2;2H2,1H3,(H,4,5)