[(2E)-2-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)-1-oxidanylidene-3H-inden-5-yl]phosphonic acid

Systemtic Name: [(2E)-2-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)-1-oxidanylidene-3H-inden-5-yl]phosphonic acid Openeye Name: [(2E)-2-(3-butyl-4-phenyl-thiazol-2-ylidene)-1-oxo-indan-5-yl]phosphonic acid CAS Name: [(2E)-2-(3-butyl-4-phenyl-2-thiazolylidene)-1-oxo-3H-inden-5-yl]phosphonic acid IUPAC Name: [(2E)-2-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)-1-oxo-3H-inden-5-yl]phosphonic acid Traditional Name: [(2E)-2-(3-butyl-4-phenyl-4-thiazolin-2-ylidene)-1-keto-indan-5-yl]phosphonic acid Formula: C22H22NO4PS MolecularWeight: 427.453141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CSC1=C2CC3=C(C2=O)C=CC(=C3)P(=O)(O)O)C4=CC=CC=C4

Isomeric SMILES

CCCCN\1C(=CS/C1=C/2\CC3=C(C2=O)C=CC(=C3)P(=O)(O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H22NO4PS/c1-2-3-11-23-20(15-7-5-4-6-8-15)14-29-22(23)19-13-16-12-17(28(25,26)27)9-10-18(16)21(19)24/h4-10,12,14H,2-3,11,13H2,1H3,(H2,25,26,27)/b22-19+