N-(3-ethylpent-1-yn-3-yl)-2-methoxy-4-methylsulfanyl-benzamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-methoxy-4-(methylthio)benzamide Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=C(C=C(C=C1)SC)OC

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=C(C=C(C=C1)SC)OC

InChI

InChI=1S/C16H21NO2S/c1-6-16(7-2,8-3)17-15(18)13-10-9-12(20-5)11-14(13)19-4/h1,9-11H,7-8H2,2-5H3,(H,17,18)