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

Systemtic Name: (E)-4-[4-[(4-ethanoylphenyl)methyl]-1,3-thiazol-2-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-[(4-acetylphenyl)methyl]thiazol-2-yl]-2-hydroxy-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-[(4-acetylphenyl)methyl]-2-thiazolyl]-2-hydroxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-[(4-acetylphenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[4-(4-acetylbenzyl)thiazol-2-yl]-2-hydroxy-4-keto-but-2-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=CSC(=N2)C(=O)C=C(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CC2=CSC(=N2)C(=O)/C=C(\C(=O)O)/O

InChI

InChI=1S/C16H13NO5S/c1-9(18)11-4-2-10(3-5-11)6-12-8-23-15(17-12)13(19)7-14(20)16(21)22/h2-5,7-8,20H,6H2,1H3,(H,21,22)/b14-7+