methyl (2S)-3-(1H-indol-3-yl)-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-[(4-keto-1H-quinazolin-2-yl)methylthio]acetyl]amino]propionic acid methyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CSCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CSCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H22N4O4S/c1-31-23(30)19(10-14-11-24-17-8-4-2-6-15(14)17)26-21(28)13-32-12-20-25-18-9-5-3-7-16(18)22(29)27-20/h2-9,11,19,24H,10,12-13H2,1H3,(H,26,28)(H,25,27,29)/t19-/m0/s1