ethyl 2-(4-but-2-ynoxyphenyl)sulfanyl-3-methyl-butanoate

Systemtic Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfanyl-3-methyl-butanoate Openeye Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfanyl-3-methyl-butanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfanyl-3-methylbutanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)thio]-3-methyl-butyric acid ethyl ester Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)SC1=CC=C(C=C1)OCC#CC

Isomeric SMILES

CCOC(=O)C(C(C)C)SC1=CC=C(C=C1)OCC#CC

InChI

InChI=1S/C17H22O3S/c1-5-7-12-20-14-8-10-15(11-9-14)21-16(13(3)4)17(18)19-6-2/h8-11,13,16H,6,12H2,1-4H3