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

Systemtic Name: methyl (2S)-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]propanoate Openeye Name: methyl (2S)-2-[[2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[(4-keto-1H-quinazolin-2-yl)methylthio]acetyl]amino]propionic acid methyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c1-9(15(21)22-2)16-13(19)8-23-7-12-17-11-6-4-3-5-10(11)14(20)18-12/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,18,20)/t9-/m0/s1