diethyl 2-[3-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioate

Systemtic Name: diethyl 2-[3-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioate Openeye Name: diethyl 2-[3-[[6-(1,3-benzothiazol-2-yl)-2-naphthyl]oxy]propyl]propanedioate CAS Name: 2-[3-[[6-(1,3-benzothiazol-2-yl)-2-naphthalenyl]oxy]propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioate Traditional Name: 2-[3-[6-(1,3-benzothiazol-2-yl)-2-naphthoxy]propyl]malonic acid diethyl ester Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCOC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=CC=CC=C4S3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCOC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=CC=CC=C4S3)C(=O)OCC

InChI

InChI=1S/C27H27NO5S/c1-3-31-26(29)22(27(30)32-4-2)8-7-15-33-21-14-13-18-16-20(12-11-19(18)17-21)25-28-23-9-5-6-10-24(23)34-25/h5-6,9-14,16-17,22H,3-4,7-8,15H2,1-2H3