3-[4-(1,3-benzothiazol-2-yl)phenoxy]propanoate

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)phenoxy]propanoate Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)phenoxy]propanoate CAS Name: 3-[4-(1,3-benzothiazol-2-yl)phenoxy]propanoate IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)phenoxy]propanoate Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)phenoxy]propionate Formula: C16H12NO3S- MolecularWeight: 298.33638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OCCC(=O)[O-]

InChI

InChI=1S/C16H13NO3S/c18-15(19)9-10-20-12-7-5-11(6-8-12)16-17-13-3-1-2-4-14(13)21-16/h1-8H,9-10H2,(H,18,19)/p-1