(5E)-2-azanyl-5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: (5E)-2-azanyl-5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5E)-2-amino-5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]thiazol-4-one CAS Name: (5E)-2-amino-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4-thiazolone IUPAC Name: (5E)-2-amino-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5E)-2-amino-5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-2-thiazolin-4-one Formula: C14H11BrN2O3S MolecularWeight: 367.21774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\C(=O)N=C(S2)N)Br)OCC#C

InChI

InChI=1S/C14H11BrN2O3S/c1-3-4-20-12-9(15)5-8(6-10(12)19-2)7-11-13(18)17-14(16)21-11/h1,5-7H,4H2,2H3,(H2,16,17,18)/b11-7+