[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C18H15IN2O3S MolecularWeight: 466.29277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C18H15IN2O3S/c19-12-4-3-5-13(10-12)20-16(22)11-24-18(23)9-8-17-21-14-6-1-2-7-15(14)25-17/h1-7,10H,8-9,11H2,(H,20,22)