4-[[4-[(4,5-diphenylthiophen-2-yl)methoxy]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(4,5-diphenylthiophen-2-yl)methoxy]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(4,5-diphenyl-2-thienyl)methoxy]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(4,5-diphenyl-2-thiophenyl)methoxy]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(4,5-diphenylthiophen-2-yl)methoxy]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-[(4,5-diphenyl-2-thienyl)methoxy]anilino]-4-keto-butyric acid Formula: C27H23NO4S MolecularWeight: 457.54082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=C2)COC3=CC=C(C=C3)NC(=O)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=C2)COC3=CC=C(C=C3)NC(=O)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO4S/c29-25(15-16-26(30)31)28-21-11-13-22(14-12-21)32-18-23-17-24(19-7-3-1-4-8-19)27(33-23)20-9-5-2-6-10-20/h1-14,17H,15-16,18H2,(H,28,29)(H,30,31)