ethyl 2-[(1S)-5-[3-(4-carbamothioyl-2-propyl-phenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]ethanoate

Systemtic Name: ethyl 2-[(1S)-5-[3-(4-carbamothioyl-2-propyl-phenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]ethanoate Openeye Name: ethyl 2-[(1S)-5-[3-(4-carbamothioyl-2-propyl-phenoxy)propoxy]indan-1-yl]acetate CAS Name: 2-[(1S)-5-[3-(4-carbamothioyl-2-propylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-5-[3-(4-carbamothioyl-2-propylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetate Traditional Name: 2-[(1S)-5-[3-(2-propyl-4-thiocarbamoyl-phenoxy)propoxy]indan-1-yl]acetic acid ethyl ester Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=S)N)OCCCOC2=CC3=C(C=C2)C(CC3)CC(=O)OCC

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=S)N)OCCCOC2=CC3=C(C=C2)[C@@H](CC3)CC(=O)OCC

InChI

InChI=1S/C26H33NO4S/c1-3-6-20-15-21(26(27)32)9-12-24(20)31-14-5-13-30-22-10-11-23-18(16-22)7-8-19(23)17-25(28)29-4-2/h9-12,15-16,19H,3-8,13-14,17H2,1-2H3,(H2,27,32)/t19-/m0/s1