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

Systemtic Name: 2-[4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]phenoxy]acetic acid CAS Name: 2-[4-[(1E)-1-(1,3-benzothiazol-2-ylhydrazinylidene)ethyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]phenoxy]acetic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=CC=CC=C2S1)C3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

C/C(=N\NC1=NC2=CC=CC=C2S1)/C3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C17H15N3O3S/c1-11(12-6-8-13(9-7-12)23-10-16(21)22)19-20-17-18-14-4-2-3-5-15(14)24-17/h2-9H,10H2,1H3,(H,18,20)(H,21,22)/b19-11+