methyl (2S)-2-(2,3-dihydro-1H-inden-5-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-(2,3-dihydro-1H-inden-5-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-(indane-5-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2,3-dihydro-1H-inden-5-yl(oxo)methyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2,3-dihydro-1H-indene-5-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(indane-5-carbonylamino)-4-(methylthio)butyric acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC2=C(CCC2)C=C1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC2=C(CCC2)C=C1

InChI

InChI=1S/C16H21NO3S/c1-20-16(19)14(8-9-21-2)17-15(18)13-7-6-11-4-3-5-12(11)10-13/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,17,18)/t14-/m0/s1