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

Systemtic Name: 2,3-dihydro-1H-inden-5-yl N-(3-phenylsulfanylpropyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; indan-5-yl N-(3-phenylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(phenylthio)propyl]carbamic acid 2,3-dihydro-1H-inden-5-yl ester IUPAC Name: 2,3-dihydro-1H-inden-5-yl N-(3-phenylsulfanylpropyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(phenylthio)propyl]carbamic acid indan-5-yl ester Formula: C32H39NO6S MolecularWeight: 565.72016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1CC2=C(C1)C=C(C=C2)OC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)O)OCC.C1CC2=C(C1)C=C(C=C2)OC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C19H21NO2S.C13H18O4/c21-19(20-12-5-13-23-18-8-2-1-3-9-18)22-17-11-10-15-6-4-7-16(15)14-17;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h1-3,8-11,14H,4-7,12-13H2,(H,20,21);5-8,12H,3-4,9H2,1-2H3,(H,14,15)