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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-[(4-keto-1H-quinazolin-2-yl)methylthio]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CSCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CSCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C17H21N3O4S2/c1-24-17(23)13(7-8-25-2)19-15(21)10-26-9-14-18-12-6-4-3-5-11(12)16(22)20-14/h3-6,13H,7-10H2,1-2H3,(H,19,21)(H,18,20,22)/t13-/m0/s1