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

Systemtic Name: (2S)-2-[2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]propanoate Openeye Name: (2S)-2-[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]propanoate CAS Name: (2S)-2-[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylthio]-1-oxoethyl]amino]propanoate IUPAC Name: (2S)-2-[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methylthio]acetyl]amino]propionate Formula: C16H18N3O6S- MolecularWeight: 380.39562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6S/c1-8(16(22)23)17-14(20)7-26-6-13-18-10-5-12(25-3)11(24-2)4-9(10)15(21)19-13/h4-5,8H,6-7H2,1-3H3,(H,17,20)(H,22,23)(H,18,19,21)/p-1/t8-/m0/s1