ethyl 2-[[2-(ethanoylsulfanylmethyl)-1,3-dihydroinden-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl 2-[[2-(ethanoylsulfanylmethyl)-1,3-dihydroinden-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[[2-(acetylsulfanylmethyl)indane-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-[(acetylthio)methyl]-1,3-dihydroinden-2-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(acetylsulfanylmethyl)-1,3-dihydroindene-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(acetylthio)methyl]indane-2-carbonyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C20H27NO4S2 MolecularWeight: 409.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C1(CC2=CC=CC=C2C1)CSC(=O)C

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)C1(CC2=CC=CC=C2C1)CSC(=O)C

InChI

InChI=1S/C20H27NO4S2/c1-4-25-18(23)17(9-10-26-3)21-19(24)20(13-27-14(2)22)11-15-7-5-6-8-16(15)12-20/h5-8,17H,4,9-13H2,1-3H3,(H,21,24)