(E)-1-(1,3-benzothiazol-2-yl)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-en-1-one Formula: C17H12BrNO3S MolecularWeight: 390.25108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=NC3=CC=CC=C3S2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=NC3=CC=CC=C3S2)Br)O

InChI

InChI=1S/C17H12BrNO3S/c1-22-14-9-10(8-11(18)16(14)21)6-7-13(20)17-19-12-4-2-3-5-15(12)23-17/h2-9,21H,1H3/b7-6+