[1,6-bis(oxidanylidene)-1-thiophen-2-yl-heptan-4-yl] 3-(3-methoxybutanoyloxy)pentanoate

Systemtic Name: [1,6-bis(oxidanylidene)-1-thiophen-2-yl-heptan-4-yl] 3-(3-methoxybutanoyloxy)pentanoate Openeye Name: [1-acetonyl-4-oxo-4-(2-thienyl)butyl] 3-(3-methoxybutanoyloxy)pentanoate CAS Name: 3-(3-methoxy-1-oxobutoxy)pentanoic acid (1,6-dioxo-1-thiophen-2-ylheptan-4-yl) ester IUPAC Name: (1,6-dioxo-1-thiophen-2-ylheptan-4-yl) 3-(3-methoxybutanoyloxy)pentanoate Traditional Name: 3-(3-methoxybutanoyloxy)valeric acid [1-acetonyl-4-keto-4-(2-thienyl)butyl] ester Formula: C21H30O7S MolecularWeight: 426.5237

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OC(CCC(=O)C1=CC=CS1)CC(=O)C)OC(=O)CC(C)OC

Isomeric SMILES

CCC(CC(=O)OC(CCC(=O)C1=CC=CS1)CC(=O)C)OC(=O)CC(C)OC

InChI

InChI=1S/C21H30O7S/c1-5-16(27-20(24)12-15(3)26-4)13-21(25)28-17(11-14(2)22)8-9-18(23)19-7-6-10-29-19/h6-7,10,15-17H,5,8-9,11-13H2,1-4H3