1,3-benzothiazol-2-ylmethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H17NO6S2 MolecularWeight: 419.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17NO6S2/c21-19(26-12-18-20-14-3-1-2-4-17(14)27-18)7-10-28(22,23)13-5-6-15-16(11-13)25-9-8-24-15/h1-6,11H,7-10,12H2