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

Systemtic Name: phenacyl 3-[2-(1-chloranyl-4-propoxy-9-sulfanylidene-xanthen-2-yl)-3-ethoxy-3-oxidanylidene-propanoyl]cyclobutane-1-carboxylate Openeye Name: phenacyl 3-[2-(1-chloro-4-propoxy-9-thioxo-xanthen-2-yl)-3-ethoxy-3-oxo-propanoyl]cyclobutanecarboxylate CAS Name: 3-[2-(1-chloro-4-propoxy-9-sulfanylidene-2-xanthenyl)-3-ethoxy-1,3-dioxopropyl]-1-cyclobutanecarboxylic acid phenacyl ester IUPAC Name: phenacyl 3-[2-(1-chloro-4-propoxy-9-sulfanylidenexanthen-2-yl)-3-ethoxy-3-oxopropanoyl]cyclobutane-1-carboxylate Traditional Name: 3-[2-(1-chloro-4-propoxy-9-thioxo-xanthen-2-yl)-3-ethoxy-3-keto-propanoyl]cyclobutanecarboxylic acid phenacyl ester Formula: C34H31ClO8S MolecularWeight: 635.12314

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=C(C(=C1)C(C(=O)C3CC(C3)C(=O)OCC(=O)C4=CC=CC=C4)C(=O)OCC)Cl)C(=S)C5=CC=CC=C5O2

Isomeric SMILES

CCCOC1=C2C(=C(C(=C1)C(C(=O)C3CC(C3)C(=O)OCC(=O)C4=CC=CC=C4)C(=O)OCC)Cl)C(=S)C5=CC=CC=C5O2

InChI

InChI=1S/C34H31ClO8S/c1-3-14-41-26-17-23(29(35)28-31(26)43-25-13-9-8-12-22(25)32(28)44)27(34(39)40-4-2)30(37)20-15-21(16-20)33(38)42-18-24(36)19-10-6-5-7-11-19/h5-13,17,20-21,27H,3-4,14-16,18H2,1-2H3