1,3-benzothiazol-2-ylmethyl 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H16ClNO4S MolecularWeight: 389.85264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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