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

Systemtic Name: 3-[[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-6-iodanyl-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-ethoxy-6-iodo-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-ethoxy-6-iodo-phenoxy]methyl]benzoic acid Formula: C20H17IN2O5S MolecularWeight: 524.32885

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)I)OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)I)OCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H17IN2O5S/c1-2-27-15-8-12(9-16-18(24)23-20(22)29-16)7-14(21)17(15)28-10-11-4-3-5-13(6-11)19(25)26/h3-9H,2,10H2,1H3,(H,25,26)(H2,22,23,24)