2-[4-[[5-azanylidene-3-oxidanylidene-4-(1,3-thiazol-2-yl)thiolan-2-ylidene]methyl]-2-bromanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[5-azanylidene-3-oxidanylidene-4-(1,3-thiazol-2-yl)thiolan-2-ylidene]methyl]-2-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-[(5-imino-3-oxo-4-thiazol-2-yl-tetrahydrothiophen-2-ylidene)methyl]phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[[5-imino-3-oxo-4-(2-thiazolyl)-2-thiolanylidene]methyl]phenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-[[5-imino-3-oxo-4-(1,3-thiazol-2-yl)thiolan-2-ylidene]methyl]phenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[(5-imino-3-keto-4-thiazol-2-yl-tetrahydrothiophen-2-ylidene)methyl]phenoxy]acetic acid Formula: C16H11BrN2O4S2 MolecularWeight: 439.30354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C2C(=O)C(C(=N)S2)C3=NC=CS3)Br)OCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C=C2C(=O)C(C(=N)S2)C3=NC=CS3)Br)OCC(=O)O

InChI

InChI=1S/C16H11BrN2O4S2/c17-9-5-8(1-2-10(9)23-7-12(20)21)6-11-14(22)13(15(18)25-11)16-19-3-4-24-16/h1-6,13,18H,7H2,(H,20,21)