3-methyl-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-5-propyl-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]-5-propyl-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]-3-methyl-5-propyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-1-hydroxy-4-(methylthio)butan-2-yl]-3-methyl-5-propyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[(1S)-1-methylol-3-(methylthio)propyl]-5-propyl-coumarilamide Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)NC(CCSC)CO

Isomeric SMILES

CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)N[C@@H](CCSC)CO

InChI

InChI=1S/C18H25NO3S/c1-4-5-13-6-7-16-15(10-13)12(2)17(22-16)18(21)19-14(11-20)8-9-23-3/h6-7,10,14,20H,4-5,8-9,11H2,1-3H3,(H,19,21)/t14-/m0/s1