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

Systemtic Name: methyl (2S)-3-methyl-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-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]-3-methyl-butyric acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CSCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-10(2)15(17(23)24-3)20-14(21)9-25-8-13-18-12-7-5-4-6-11(12)16(22)19-13/h4-7,10,15H,8-9H2,1-3H3,(H,20,21)(H,18,19,22)/t15-/m0/s1