3-[[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-iodanyl-6-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-iodanyl-6-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-iodo-6-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-iodo-6-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-iodo-6-methoxy-phenoxy]methyl]benzoic acid Formula: C19H15IN2O5S MolecularWeight: 510.30227

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)I)OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)I)OCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H15IN2O5S/c1-26-14-7-11(8-15-17(23)22-19(21)28-15)6-13(20)16(14)27-9-10-3-2-4-12(5-10)18(24)25/h2-8H,9H2,1H3,(H,24,25)(H2,21,22,23)