3-[(2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidin-4-yl]propanoic acid

Systemtic Name: 3-[(2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidin-4-yl]propanoic acid Openeye Name: 3-[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)thiazolidin-4-yl]propanoic acid CAS Name: 3-[(2E)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-thiazolidinyl]propanoic acid IUPAC Name: 3-[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidin-4-yl]propanoic acid Traditional Name: 3-[(2E)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)thiazolidin-4-yl]propionic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=C2C=CC=CC2=O)S1)CCC(=O)O

Isomeric SMILES

C1C(N/C(=C\2/C=CC=CC2=O)/S1)CCC(=O)O

InChI

InChI=1S/C12H13NO3S/c14-10-4-2-1-3-9(10)12-13-8(7-17-12)5-6-11(15)16/h1-4,8,13H,5-7H2,(H,15,16)/b12-9+