2-[3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1,2-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1,2-thiazol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-isothiazol-5-yl]acetic acid CAS Name: 2-[3-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-phenyl-5-isothiazolyl]acetic acid IUPAC Name: 2-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1,2-thiazol-5-yl]acetic acid Traditional Name: 2-[3-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-phenyl-4-isothiazolin-5-yl]acetic acid Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SNC2=C3C=CC(=O)C=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SNC2=C3C=CC(=O)C=C3)CC(=O)O

InChI

InChI=1S/C17H13NO3S/c19-13-8-6-12(7-9-13)17-16(11-4-2-1-3-5-11)14(22-18-17)10-15(20)21/h1-9,18H,10H2,(H,20,21)