ethyl 4-methanoyl-5-methyl-2-phenylsulfanyl-heptanoate

Systemtic Name: ethyl 4-methanoyl-5-methyl-2-phenylsulfanyl-heptanoate Openeye Name: ethyl 4-formyl-5-methyl-2-phenylsulfanyl-heptanoate CAS Name: 4-formyl-5-methyl-2-(phenylthio)heptanoic acid ethyl ester IUPAC Name: ethyl 4-formyl-5-methyl-2-phenylsulfanylheptanoate Traditional Name: 4-formyl-5-methyl-2-(phenylthio)enanthic acid ethyl ester Formula: C17H24O3S MolecularWeight: 308.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(C(=O)OCC)SC1=CC=CC=C1)C=O

Isomeric SMILES

CCC(C)C(CC(C(=O)OCC)SC1=CC=CC=C1)C=O

InChI

InChI=1S/C17H24O3S/c1-4-13(3)14(12-18)11-16(17(19)20-5-2)21-15-9-7-6-8-10-15/h6-10,12-14,16H,4-5,11H2,1-3H3