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

Systemtic Name: 3-[4-[[5-azanylidene-3-oxidanylidene-4-(1,3-thiazol-2-yl)thiolan-2-ylidene]methyl]phenoxy]propanoic acid Openeye Name: 3-[4-[(5-imino-3-oxo-4-thiazol-2-yl-tetrahydrothiophen-2-ylidene)methyl]phenoxy]propanoic acid CAS Name: 3-[4-[[5-imino-3-oxo-4-(2-thiazolyl)-2-thiolanylidene]methyl]phenoxy]propanoic acid IUPAC Name: 3-[4-[[5-imino-3-oxo-4-(1,3-thiazol-2-yl)thiolan-2-ylidene]methyl]phenoxy]propanoic acid Traditional Name: 3-[4-[(5-imino-3-keto-4-thiazol-2-yl-tetrahydrothiophen-2-ylidene)methyl]phenoxy]propionic acid Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4S2/c18-16-14(17-19-6-8-24-17)15(22)12(25-16)9-10-1-3-11(4-2-10)23-7-5-13(20)21/h1-4,6,8-9,14,18H,5,7H2,(H,20,21)