methyl 5-(5-propanoylthiophen-2-yl)pentanoate

Systemtic Name: methyl 5-(5-propanoylthiophen-2-yl)pentanoate Openeye Name: methyl 5-(5-propanoyl-2-thienyl)pentanoate CAS Name: 5-[5-(1-oxopropyl)-2-thiophenyl]pentanoic acid methyl ester IUPAC Name: methyl 5-(5-propanoylthiophen-2-yl)pentanoate Traditional Name: 5-(5-propionyl-2-thienyl)valeric acid methyl ester Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(S1)CCCCC(=O)OC

Isomeric SMILES

CCC(=O)C1=CC=C(S1)CCCCC(=O)OC

InChI

InChI=1S/C13H18O3S/c1-3-11(14)12-9-8-10(17-12)6-4-5-7-13(15)16-2/h8-9H,3-7H2,1-2H3