ethyl 6-thiophen-2-yl-6-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]hexanoate

Systemtic Name: ethyl 6-thiophen-2-yl-6-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]hexanoate Openeye Name: ethyl 6-(2-thienyl)-6-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)hexanoate CAS Name: 6-thiophen-2-yl-6-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)hexanoic acid ethyl ester IUPAC Name: ethyl 6-thiophen-2-yl-6-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanoate Traditional Name: 6-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-6-(2-thienyl)hexanoic acid ethyl ester Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(C1=CC=CS1)C2=C(C(=O)C(=C(C2=O)C)C)C

Isomeric SMILES

CCOC(=O)CCCCC(C1=CC=CS1)C2=C(C(=O)C(=C(C2=O)C)C)C

InChI

InChI=1S/C21H26O4S/c1-5-25-18(22)11-7-6-9-16(17-10-8-12-26-17)19-15(4)20(23)13(2)14(3)21(19)24/h8,10,12,16H,5-7,9,11H2,1-4H3