2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-2-phenylacetic acid Traditional Name: 2-[[2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]-2-phenyl-acetic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(C1=CC=CC=C1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CSCCC(C(=O)NC(C1=CC=CC=C1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O4S/c1-29-12-11-17(24-13-22-16-10-6-5-9-15(16)20(24)26)19(25)23-18(21(27)28)14-7-3-2-4-8-14/h2-10,13,17-18H,11-12H2,1H3,(H,23,25)(H,27,28)