2-[4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-ethyl-carbonimidoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-ethyl-carbonimidoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-ethyl-carbonimidoyl]phenoxy]acetic acid CAS Name: 2-[4-[(1E)-1-(1,3-benzothiazol-2-ylhydrazinylidene)propyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-ethylcarbonimidoyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-ethyl-carbonimidoyl]phenoxy]acetic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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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)/b20-14+