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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H16ClNO4S MolecularWeight: 389.85264

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H16ClNO4S/c20-14-7-12-9-23-11-25-19(12)13(8-14)10-24-18(22)6-5-17-21-15-3-1-2-4-16(15)26-17/h1-4,7-8H,5-6,9-11H2