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

Systemtic Name: phenacyl 3-[2-(2,4-diethyl-9-sulfanylidene-xanthen-1-yl)-3-ethoxy-3-oxidanylidene-propanoyl]cyclobutane-1-carboxylate Openeye Name: phenacyl 3-[2-(2,4-diethyl-9-thioxo-xanthen-1-yl)-3-ethoxy-3-oxo-propanoyl]cyclobutanecarboxylate CAS Name: 3-[2-(2,4-diethyl-9-sulfanylidene-1-xanthenyl)-3-ethoxy-1,3-dioxopropyl]-1-cyclobutanecarboxylic acid phenacyl ester IUPAC Name: phenacyl 3-[2-(2,4-diethyl-9-sulfanylidenexanthen-1-yl)-3-ethoxy-3-oxopropanoyl]cyclobutane-1-carboxylate Traditional Name: 3-[2-(2,4-diethyl-9-thioxo-xanthen-1-yl)-3-ethoxy-3-keto-propanoyl]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/c1-4-20-16-21(5-2)32-30(33(43)25-14-10-11-15-27(25)42-32)28(20)29(35(39)40-6-3)31(37)23-17-24(18-23)34(38)41-19-26(36)22-12-8-7-9-13-22/h7-16,23-24,29H,4-6,17-19H2,1-3H3