2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(3-bromanyl-4-methoxy-5-oxidanyl-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(3-bromanyl-4-methoxy-5-oxidanyl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(3-bromo-5-hydroxy-4-methoxy-phenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(3-bromo-5-hydroxy-4-methoxy-benzylidene)amino]acetamide Formula: C17H14BrN3O4S MolecularWeight: 436.27976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C=NNC(=O)CSC2=NC3=CC=CC=C3O2)O

Isomeric SMILES

COC1=C(C=C(C=C1Br)/C=N/NC(=O)CSC2=NC3=CC=CC=C3O2)O

InChI

InChI=1S/C17H14BrN3O4S/c1-24-16-11(18)6-10(7-13(16)22)8-19-21-15(23)9-26-17-20-12-4-2-3-5-14(12)25-17/h2-8,22H,9H2,1H3,(H,21,23)/b19-8+