3-[3-(3-methylphenyl)propanoyl]-5-(2-methylsulfanylpropyl)oxolane-2,4-dione

Systemtic Name: 3-[3-(3-methylphenyl)propanoyl]-5-(2-methylsulfanylpropyl)oxolane-2,4-dione Openeye Name: 5-(2-methylsulfanylpropyl)-3-[3-(m-tolyl)propanoyl]tetrahydrofuran-2,4-dione CAS Name: 3-[3-(3-methylphenyl)-1-oxopropyl]-5-[2-(methylthio)propyl]oxolane-2,4-dione IUPAC Name: 3-[3-(3-methylphenyl)propanoyl]-5-(2-methylsulfanylpropyl)oxolane-2,4-dione Traditional Name: 5-[2-(methylthio)propyl]-3-[3-(m-tolyl)propanoyl]tetrahydrofuran-2,4-quinone Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCC(=O)C2C(=O)C(OC2=O)CC(C)SC

Isomeric SMILES

CC1=CC(=CC=C1)CCC(=O)C2C(=O)C(OC2=O)CC(C)SC

InChI

InChI=1S/C18H22O4S/c1-11-5-4-6-13(9-11)7-8-14(19)16-17(20)15(22-18(16)21)10-12(2)23-3/h4-6,9,12,15-16H,7-8,10H2,1-3H3