1-[2-[3-(3-chloranylpropoxy)-4-oxidanyl-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone

Systemtic Name: 1-[2-[3-(3-chloranylpropoxy)-4-oxidanyl-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Openeye Name: 1-[2-[3-(3-chloropropoxy)-4-hydroxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone CAS Name: 1-[2-[3-(3-chloropropoxy)-4-hydroxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone IUPAC Name: 1-[2-[3-(3-chloropropoxy)-4-hydroxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone Traditional Name: 1-[2-[3-(3-chloropropoxy)-4-hydroxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC2=CC=CC=C21)C3=CC(=C(C=C3)O)OCCCCl

Isomeric SMILES

CC(=O)N1C(SC2=CC=CC=C21)C3=CC(=C(C=C3)O)OCCCCl

InChI

InChI=1S/C18H18ClNO3S/c1-12(21)20-14-5-2-3-6-17(14)24-18(20)13-7-8-15(22)16(11-13)23-10-4-9-19/h2-3,5-8,11,18,22H,4,9-10H2,1H3