1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-3-[3-(methylthio)propyl]thiourea Formula: C17H26N2O2S2 MolecularWeight: 354.53054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=S)NCCCSC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=S)NCCCSC

InChI

InChI=1S/C17H26N2O2S2/c1-4-20-15-9-13-8-12(2)21-16(13)10-14(15)11-19-17(22)18-6-5-7-23-3/h9-10,12H,4-8,11H2,1-3H3,(H2,18,19,22)/t12-/m0/s1