2-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methylsulfanyl-butanoyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methylsulfanyl-butanoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanyl-butanoyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-(methylthio)-1-oxobutyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-2-phenylacetic acid Traditional Name: 2-[[2-(2,4-diketo-1H-quinazolin-3-yl)-4-(methylthio)butanoyl]amino]-2-phenyl-acetic acid Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(C1=CC=CC=C1)C(=O)O)N2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

CSCCC(C(=O)NC(C1=CC=CC=C1)C(=O)O)N2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H21N3O5S/c1-30-12-11-16(18(25)23-17(20(27)28)13-7-3-2-4-8-13)24-19(26)14-9-5-6-10-15(14)22-21(24)29/h2-10,16-17H,11-12H2,1H3,(H,22,29)(H,23,25)(H,27,28)