phenacyl 3-[2-(2-chloranyl-9-sulfanylidene-xanthen-1-yl)-3-ethoxy-3-oxidanylidene-propanoyl]cyclobutane-1-carboxylate

Systemtic Name: phenacyl 3-[2-(2-chloranyl-9-sulfanylidene-xanthen-1-yl)-3-ethoxy-3-oxidanylidene-propanoyl]cyclobutane-1-carboxylate Openeye Name: phenacyl 3-[2-(2-chloro-9-thioxo-xanthen-1-yl)-3-ethoxy-3-oxo-propanoyl]cyclobutanecarboxylate CAS Name: 3-[2-(2-chloro-9-sulfanylidene-1-xanthenyl)-3-ethoxy-1,3-dioxopropyl]-1-cyclobutanecarboxylic acid phenacyl ester IUPAC Name: phenacyl 3-[2-(2-chloro-9-sulfanylidenexanthen-1-yl)-3-ethoxy-3-oxopropanoyl]cyclobutane-1-carboxylate Traditional Name: 3-[2-(2-chloro-9-thioxo-xanthen-1-yl)-3-ethoxy-3-keto-propanoyl]cyclobutanecarboxylic acid phenacyl ester Formula: C31H25ClO7S MolecularWeight: 577.044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=CC2=C1C(=S)C3=CC=CC=C3O2)Cl)C(=O)C4CC(C4)C(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C(C1=C(C=CC2=C1C(=S)C3=CC=CC=C3O2)Cl)C(=O)C4CC(C4)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H25ClO7S/c1-2-37-31(36)27(25-21(32)12-13-24-26(25)29(40)20-10-6-7-11-23(20)39-24)28(34)18-14-19(15-18)30(35)38-16-22(33)17-8-4-3-5-9-17/h3-13,18-19,27H,2,14-16H2,1H3