ethyl 6-[(4E)-3-oxidanylidene-4-[(4-phenylphenyl)-sulfanyl-methylidene]cyclohexa-1,5-dien-1-yl]oxyhexanoate

Systemtic Name: ethyl 6-[(4E)-3-oxidanylidene-4-[(4-phenylphenyl)-sulfanyl-methylidene]cyclohexa-1,5-dien-1-yl]oxyhexanoate Openeye Name: ethyl 6-[(4E)-3-oxo-4-[(4-phenylphenyl)-sulfanyl-methylene]cyclohexa-1,5-dien-1-yl]oxyhexanoate CAS Name: 6-[[(4E)-4-[mercapto-(4-phenylphenyl)methylidene]-3-oxo-1-cyclohexa-1,5-dienyl]oxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[(4E)-3-oxo-4-[(4-phenylphenyl)-sulfanylmethylidene]cyclohexa-1,5-dien-1-yl]oxyhexanoate Traditional Name: 6-[(4E)-3-keto-4-[mercapto-(4-phenylphenyl)methylene]cyclohexa-1,5-dien-1-yl]oxyhexanoic acid ethyl ester Formula: C27H28O4S MolecularWeight: 448.57382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=CC(=O)C(=C(C2=CC=C(C=C2)C3=CC=CC=C3)S)C=C1

Isomeric SMILES

CCOC(=O)CCCCCOC1=CC(=O)/C(=C(\C2=CC=C(C=C2)C3=CC=CC=C3)/S)/C=C1

InChI

InChI=1S/C27H28O4S/c1-2-30-26(29)11-7-4-8-18-31-23-16-17-24(25(28)19-23)27(32)22-14-12-21(13-15-22)20-9-5-3-6-10-20/h3,5-6,9-10,12-17,19,32H,2,4,7-8,11,18H2,1H3/b27-24+