(2S)-2-[2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylthio]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methylthio]acetyl]amino]-3-methyl-butyrate Formula: C18H22N3O6S- MolecularWeight: 408.44878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6S/c1-9(2)16(18(24)25)21-15(22)8-28-7-14-19-11-6-13(27-4)12(26-3)5-10(11)17(23)20-14/h5-6,9,16H,7-8H2,1-4H3,(H,21,22)(H,24,25)(H,19,20,23)/p-1/t16-/m0/s1