2-methyl-2-[3-[4-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]butoxy]phenoxy]propanoate

Systemtic Name: 2-methyl-2-[3-[4-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]butoxy]phenoxy]propanoate Openeye Name: 2-[3-[4-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)butoxy]phenoxy]-2-methyl-propanoate CAS Name: 2-[3-[4-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)butoxy]phenoxy]-2-methylpropanoate IUPAC Name: 2-[3-[4-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)butoxy]phenoxy]-2-methylpropanoate Traditional Name: 2-[3-[4-(6-benzoyl-2-keto-1,3-benzothiazol-3-yl)butoxy]phenoxy]-2-methyl-propionate Formula: C28H26NO6S- MolecularWeight: 504.57414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])OC1=CC=CC(=C1)OCCCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O

Isomeric SMILES

CC(C)(C(=O)[O-])OC1=CC=CC(=C1)OCCCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O

InChI

InChI=1S/C28H27NO6S/c1-28(2,26(31)32)35-22-12-8-11-21(18-22)34-16-7-6-15-29-23-14-13-20(17-24(23)36-27(29)33)25(30)19-9-4-3-5-10-19/h3-5,8-14,17-18H,6-7,15-16H2,1-2H3,(H,31,32)/p-1