(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H16ClNO5S MolecularWeight: 405.85204

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CSC3=NC4=CC=CC=C4O3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CSC3=NC4=CC=CC=C4O3)Cl)OC1

InChI

InChI=1S/C19H16ClNO5S/c20-13-8-12(9-16-18(13)24-7-3-6-23-16)10-25-17(22)11-27-19-21-14-4-1-2-5-15(14)26-19/h1-2,4-5,8-9H,3,6-7,10-11H2