methyl (2S)-2-(1H-indol-2-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-(1H-indol-2-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-(1H-indole-2-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[1H-indol-2-yl(oxo)methyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-(1H-indole-2-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(1H-indole-2-carbonylamino)-4-(methylthio)butyric acid methyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC2=CC=CC=C2N1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC2=CC=CC=C2N1

InChI

InChI=1S/C15H18N2O3S/c1-20-15(19)12(7-8-21-2)17-14(18)13-9-10-5-3-4-6-11(10)16-13/h3-6,9,12,16H,7-8H2,1-2H3,(H,17,18)/t12-/m0/s1