(2S)-4-methylsulfanyl-2-[2-(9-oxidanylideneacridin-10-yl)ethanoylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[2-(9-oxidanylideneacridin-10-yl)ethanoylamino]butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-(9-oxo-10-acridinyl)ethyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid Traditional Name: (2S)-2-[[2-(9-ketoacridin-10-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31

InChI

InChI=1S/C20H20N2O4S/c1-27-11-10-15(20(25)26)21-18(23)12-22-16-8-4-2-6-13(16)19(24)14-7-3-5-9-17(14)22/h2-9,15H,10-12H2,1H3,(H,21,23)(H,25,26)/t15-/m0/s1