2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-ethyl-carbonimidoyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-ethyl-carbonimidoyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-ethyl-carbonimidoyl]phenoxy]acetate CAS Name: 2-[4-[(1Z)-1-(1,3-benzothiazol-2-ylhydrazinylidene)propyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-ethylcarbonimidoyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-ethyl-carbonimidoyl]phenoxy]acetate Formula: C18H16N3O3S- MolecularWeight: 354.40294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=NC2=CC=CC=C2S1)C3=CC=C(C=C3)OCC(=O)[O-]

Isomeric SMILES

CC/C(=N/NC1=NC2=CC=CC=C2S1)/C3=CC=C(C=C3)OCC(=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-2-14(12-7-9-13(10-8-12)24-11-17(22)23)20-21-18-19-15-5-3-4-6-16(15)25-18/h3-10H,2,11H2,1H3,(H,19,21)(H,22,23)/p-1/b20-14-