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

Systemtic Name: methyl 2-[2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]propanoate Openeye Name: methyl 2-[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]propanoate CAS Name: 2-[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylthio]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]propanoate Traditional Name: 2-[[2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methylthio]acetyl]amino]propionic acid methyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6S/c1-9(17(23)26-4)18-15(21)8-27-7-14-19-11-6-13(25-3)12(24-2)5-10(11)16(22)20-14/h5-6,9H,7-8H2,1-4H3,(H,18,21)(H,19,20,22)