1,3-benzothiazol-2-ylmethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3)OC1

InChI

InChI=1S/C18H15NO4S/c20-18(12-6-7-14-15(10-12)22-9-3-8-21-14)23-11-17-19-13-4-1-2-5-16(13)24-17/h1-2,4-7,10H,3,8-9,11H2