diethyl 2-[[4-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propoxy]phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-[[4-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propoxy]phenyl]methyl]propanedioate Openeye Name: diethyl 2-[[4-[3-(2-oxo-1,3-benzothiazol-3-yl)propoxy]phenyl]methyl]propanedioate CAS Name: 2-[[4-[3-(2-oxo-1,3-benzothiazol-3-yl)propoxy]phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[3-(2-oxo-1,3-benzothiazol-3-yl)propoxy]phenyl]methyl]propanedioate Traditional Name: 2-[4-[3-(2-keto-1,3-benzothiazol-3-yl)propoxy]benzyl]malonic acid diethyl ester Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3SC2=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3SC2=O)C(=O)OCC

InChI

InChI=1S/C24H27NO6S/c1-3-29-22(26)19(23(27)30-4-2)16-17-10-12-18(13-11-17)31-15-7-14-25-20-8-5-6-9-21(20)32-24(25)28/h5-6,8-13,19H,3-4,7,14-16H2,1-2H3