2,3-dihydro-1H-inden-5-yl N-(2-pentylsulfanylethyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid

Systemtic Name: 2,3-dihydro-1H-inden-5-yl N-(2-pentylsulfanylethyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; indan-5-yl N-(2-pentylsulfanylethyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[2-(pentylthio)ethyl]carbamic acid 2,3-dihydro-1H-inden-5-yl ester IUPAC Name: 2,3-dihydro-1H-inden-5-yl N-(2-pentylsulfanylethyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid Traditional Name: N-[2-(amylthio)ethyl]carbamic acid indan-5-yl ester; 2-ethoxy-3-p-phenetyl-propionic acid Formula: C30H43NO6S MolecularWeight: 545.73052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCNC(=O)OC1=CC2=C(CCC2)C=C1.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCSCCNC(=O)OC1=CC2=C(CCC2)C=C1.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C17H25NO2S.C13H18O4/c1-2-3-4-11-21-12-10-18-17(19)20-16-9-8-14-6-5-7-15(14)13-16;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h8-9,13H,2-7,10-12H2,1H3,(H,18,19);5-8,12H,3-4,9H2,1-2H3,(H,14,15)