S-(1,3-benzoxazol-2-yl) 2-(6-bromanyl-2-methoxy-naphthalen-1-yl)ethanethioate

Systemtic Name: S-(1,3-benzoxazol-2-yl) 2-(6-bromanyl-2-methoxy-naphthalen-1-yl)ethanethioate Openeye Name: S-(1,3-benzoxazol-2-yl) 2-(6-bromo-2-methoxy-1-naphthyl)ethanethioate CAS Name: 2-(6-bromo-2-methoxy-1-naphthalenyl)ethanethioic acid S-(1,3-benzoxazol-2-yl) ester IUPAC Name: S-(1,3-benzoxazol-2-yl) 2-(6-bromo-2-methoxynaphthalen-1-yl)ethanethioate Traditional Name: 2-(6-bromo-2-methoxy-1-naphthyl)ethanethioic acid S-(1,3-benzoxazol-2-yl) ester Formula: C20H14BrNO3S MolecularWeight: 428.29906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CC(=O)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CC(=O)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H14BrNO3S/c1-24-17-9-6-12-10-13(21)7-8-14(12)15(17)11-19(23)26-20-22-16-4-2-3-5-18(16)25-20/h2-10H,11H2,1H3