(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H14ClNO4S2 MolecularWeight: 407.89106

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CSC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H14ClNO4S2/c19-13-5-11-7-22-10-24-17(11)12(6-13)8-23-16(21)9-25-18-20-14-3-1-2-4-15(14)26-18/h1-6H,7-10H2