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

Systemtic Name: phenacyl 3-[3-ethoxy-3-oxidanylidene-2-(9-sulfanylidenexanthen-1-yl)propanoyl]cyclobutane-1-carboxylate Openeye Name: phenacyl 3-[3-ethoxy-3-oxo-2-(9-thioxoxanthen-1-yl)propanoyl]cyclobutanecarboxylate CAS Name: 3-[3-ethoxy-1,3-dioxo-2-(9-sulfanylidene-1-xanthenyl)propyl]-1-cyclobutanecarboxylic acid phenacyl ester IUPAC Name: phenacyl 3-[3-ethoxy-3-oxo-2-(9-sulfanylidenexanthen-1-yl)propanoyl]cyclobutane-1-carboxylate Traditional Name: 3-[3-ethoxy-3-keto-2-(9-thioxoxanthen-1-yl)propanoyl]cyclobutanecarboxylic acid phenacyl ester Formula: C31H26O7S MolecularWeight: 542.59894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C2C(=CC=C1)OC3=CC=CC=C3C2=S)C(=O)C4CC(C4)C(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C(C1=C2C(=CC=C1)OC3=CC=CC=C3C2=S)C(=O)C4CC(C4)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H26O7S/c1-2-36-31(35)27(22-12-8-14-25-26(22)29(39)21-11-6-7-13-24(21)38-25)28(33)19-15-20(16-19)30(34)37-17-23(32)18-9-4-3-5-10-18/h3-14,19-20,27H,2,15-17H2,1H3