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

Systemtic Name: 2-methyl-2-[4-[3-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]propoxy]phenoxy]propanoate Openeye Name: 2-[4-[3-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)propoxy]phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[3-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)propoxy]phenoxy]-2-methylpropanoate IUPAC Name: 2-[4-[3-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)propoxy]phenoxy]-2-methylpropanoate Traditional Name: 2-[4-[3-(6-benzoyl-2-keto-1,3-benzothiazol-3-yl)propoxy]phenoxy]-2-methyl-propionate Formula: C27H24NO6S- MolecularWeight: 490.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])OC1=CC=C(C=C1)OCCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O

Isomeric SMILES

CC(C)(C(=O)[O-])OC1=CC=C(C=C1)OCCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O

InChI

InChI=1S/C27H25NO6S/c1-27(2,25(30)31)34-21-12-10-20(11-13-21)33-16-6-15-28-22-14-9-19(17-23(22)35-26(28)32)24(29)18-7-4-3-5-8-18/h3-5,7-14,17H,6,15-16H2,1-2H3,(H,30,31)/p-1