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

Systemtic Name: 2-[2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylthio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]acetic acid Traditional Name: 2-[[2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methylthio]acetyl]amino]acetic acid Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)NCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)NCC(=O)O)OC

InChI

InChI=1S/C15H17N3O6S/c1-23-10-3-8-9(4-11(10)24-2)17-12(18-15(8)22)6-25-7-13(19)16-5-14(20)21/h3-4H,5-7H2,1-2H3,(H,16,19)(H,20,21)(H,17,18,22)