dimethyl 2-[[4-[2-(6-naphthalen-1-ylcarbonyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[4-[2-(6-naphthalen-1-ylcarbonyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioate Openeye Name: dimethyl 2-[[4-[2-[6-(naphthalene-1-carbonyl)-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]methyl]propanedioate CAS Name: 2-[[4-[2-[6-[1-naphthalenyl(oxo)methyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[2-[6-(naphthalene-1-carbonyl)-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]methyl]propanedioate Traditional Name: 2-[4-[2-[2-keto-6-(1-naphthoyl)-1,3-benzothiazol-3-yl]ethoxy]benzyl]malonic acid dimethyl ester Formula: C32H27NO7S MolecularWeight: 569.62428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC5=CC=CC=C54)SC2=O)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC5=CC=CC=C54)SC2=O)C(=O)OC

InChI

InChI=1S/C32H27NO7S/c1-38-30(35)26(31(36)39-2)18-20-10-13-23(14-11-20)40-17-16-33-27-15-12-22(19-28(27)41-32(33)37)29(34)25-9-5-7-21-6-3-4-8-24(21)25/h3-15,19,26H,16-18H2,1-2H3