1,3-benzothiazol-2-ylmethyl 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[4-(1,3-dithian-2-yl)phenoxy]acetate CAS Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[4-(1,3-dithian-2-yl)phenoxy]acetate Traditional Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H19NO3S3 MolecularWeight: 417.56476

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)OCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)OCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19NO3S3/c22-19(24-12-18-21-16-4-1-2-5-17(16)27-18)13-23-15-8-6-14(7-9-15)20-25-10-3-11-26-20/h1-2,4-9,20H,3,10-13H2