(E)-4-[2-[(4-ethanoylphenyl)methyl]-1,3-thiazol-4-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[2-[(4-ethanoylphenyl)methyl]-1,3-thiazol-4-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[2-[(4-acetylphenyl)methyl]thiazol-4-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[2-[(4-acetylphenyl)methyl]-4-thiazolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[2-[(4-acetylphenyl)methyl]-1,3-thiazol-4-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[2-(4-acetylbenzyl)thiazol-4-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CC2=NC(=CS2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CC2=NC(=CS2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C16H13NO5S/c1-9(18)11-4-2-10(3-5-11)6-15-17-12(8-23-15)13(19)7-14(20)16(21)22/h2-5,7-8,19H,6H2,1H3,(H,21,22)/b13-7+