ethyl 5-(4,5-dimethyl-3-propanoyl-thiophen-2-yl)-3,3-dimethyl-pentanoate; 3-methylbicyclo[2.2.0]hexa-1(4),2,5-triene

Systemtic Name: ethyl 5-(4,5-dimethyl-3-propanoyl-thiophen-2-yl)-3,3-dimethyl-pentanoate; 3-methylbicyclo[2.2.0]hexa-1(4),2,5-triene Openeye Name: ethyl 5-(4,5-dimethyl-3-propanoyl-2-thienyl)-3,3-dimethyl-pentanoate; 3-methylbicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: 5-[4,5-dimethyl-3-(1-oxopropyl)-2-thiophenyl]-3,3-dimethylpentanoic acid ethyl ester; 3-methylbicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: ethyl 5-(4,5-dimethyl-3-propanoylthiophen-2-yl)-3,3-dimethylpentanoate; 3-methylbicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: 5-(4,5-dimethyl-3-propionyl-2-thienyl)-3,3-dimethyl-valeric acid ethyl ester; 3-methylbicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C25H34O3S MolecularWeight: 414.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(SC(=C1C)C)CCC(C)(C)CC(=O)OCC.CC1=CC2=C1C=C2

Isomeric SMILES

CCC(=O)C1=C(SC(=C1C)C)CCC(C)(C)CC(=O)OCC.CC1=CC2=C1C=C2

InChI

InChI=1S/C18H28O3S.C7H6/c1-7-14(19)17-12(3)13(4)22-15(17)9-10-18(5,6)11-16(20)21-8-2;1-5-4-6-2-3-7(5)6/h7-11H2,1-6H3;2-4H,1H3