phenacyl 3-[2-(2,4-diethyl-9-sulfanylidene-xanthen-1-yl)-1-ethoxy-1,3-bis(oxidanylidene)propan-2-yl]cyclobutane-1-carboxylate

Systemtic Name: phenacyl 3-[2-(2,4-diethyl-9-sulfanylidene-xanthen-1-yl)-1-ethoxy-1,3-bis(oxidanylidene)propan-2-yl]cyclobutane-1-carboxylate Openeye Name: phenacyl 3-[1-(2,4-diethyl-9-thioxo-xanthen-1-yl)-2-ethoxy-1-formyl-2-oxo-ethyl]cyclobutanecarboxylate CAS Name: 3-[2-(2,4-diethyl-9-sulfanylidene-1-xanthenyl)-1-ethoxy-1,3-dioxopropan-2-yl]-1-cyclobutanecarboxylic acid phenacyl ester IUPAC Name: phenacyl 3-[2-(2,4-diethyl-9-sulfanylidenexanthen-1-yl)-1-ethoxy-1,3-dioxopropan-2-yl]cyclobutane-1-carboxylate Traditional Name: 3-[1-(2,4-diethyl-9-thioxo-xanthen-1-yl)-2-ethoxy-1-formyl-2-keto-ethyl]cyclobutanecarboxylic acid phenacyl ester Formula: C35H34O7S MolecularWeight: 598.70526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1C(C=O)(C3CC(C3)C(=O)OCC(=O)C4=CC=CC=C4)C(=O)OCC)C(=S)C5=CC=CC=C5O2)CC

Isomeric SMILES

CCC1=CC(=C2C(=C1C(C=O)(C3CC(C3)C(=O)OCC(=O)C4=CC=CC=C4)C(=O)OCC)C(=S)C5=CC=CC=C5O2)CC

InChI

InChI=1S/C35H34O7S/c1-4-21-16-22(5-2)31-29(32(43)26-14-10-11-15-28(26)42-31)30(21)35(20-36,34(39)40-6-3)25-17-24(18-25)33(38)41-19-27(37)23-12-8-7-9-13-23/h7-16,20,24-25H,4-6,17-19H2,1-3H3