(2E)-2-[(2-methyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-[(2-methyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-[(2-methyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-2-[(2-methyl-6-phenyl-5-imidazo[2,1-b][1,3,4]thiadiazolyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-2-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-(2-methyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-5-yl)acrylic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C(N=C2S1)C3=CC=CC=C3)C=C(C(=O)C)C(=O)O

Isomeric SMILES

CC1=NN2C(=C(N=C2S1)C3=CC=CC=C3)/C=C(\C(=O)C)/C(=O)O

InChI

InChI=1S/C16H13N3O3S/c1-9(20)12(15(21)22)8-13-14(11-6-4-3-5-7-11)17-16-19(13)18-10(2)23-16/h3-8H,1-2H3,(H,21,22)/b12-8+