methyl 3-oxidanylidene-2-(4-phenylsulfanylbut-3-yn-2-yl)hexanoate

Systemtic Name: methyl 3-oxidanylidene-2-(4-phenylsulfanylbut-3-yn-2-yl)hexanoate Openeye Name: methyl 2-(1-methyl-3-phenylsulfanyl-prop-2-ynyl)-3-oxo-hexanoate CAS Name: 3-oxo-2-[4-(phenylthio)but-3-yn-2-yl]hexanoic acid methyl ester IUPAC Name: methyl 3-oxo-2-(4-phenylsulfanylbut-3-yn-2-yl)hexanoate Traditional Name: 2-butyryl-3-methyl-5-(phenylthio)pent-4-ynoic acid methyl ester Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C(C)C#CSC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCCC(=O)C(C(C)C#CSC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C17H20O3S/c1-4-8-15(18)16(17(19)20-3)13(2)11-12-21-14-9-6-5-7-10-14/h5-7,9-10,13,16H,4,8H2,1-3H3