2-[(4E)-3-oxidanylidene-4-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,5-dien-1-yl]propanoic acid

Systemtic Name: 2-[(4E)-3-oxidanylidene-4-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 2-[(4E)-3-oxo-4-(3H-thiazol-2-ylidene)cyclohexa-1,5-dien-1-yl]propanoic acid CAS Name: 2-[(4E)-3-oxo-4-(3H-thiazol-2-ylidene)-1-cyclohexa-1,5-dienyl]propanoic acid IUPAC Name: 2-[(4E)-3-oxo-4-(3H-1,3-thiazol-2-ylidene)cyclohexa-1,5-dien-1-yl]propanoic acid Traditional Name: 2-[(4E)-3-keto-4-(4-thiazolin-2-ylidene)cyclohexa-1,5-dien-1-yl]propionic acid Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=O)C(=C2NC=CS2)C=C1)C(=O)O

Isomeric SMILES

CC(C1=CC(=O)/C(=C/2\NC=CS2)/C=C1)C(=O)O

InChI

InChI=1S/C12H11NO3S/c1-7(12(15)16)8-2-3-9(10(14)6-8)11-13-4-5-17-11/h2-7,13H,1H3,(H,15,16)/b11-9+