2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1,3-benzoxazole CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1,3-benzoxazole IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1,3-benzoxazole Formula: C17H14ClNO3S MolecularWeight: 347.81596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO3S/c18-12-8-11(9-15-16(12)21-7-3-6-20-15)10-23-17-19-13-4-1-2-5-14(13)22-17/h1-2,4-5,8-9H,3,6-7,10H2