3-[7-chloranyl-4-oxidanylidene-2-(quinolin-8-ylmethylsulfanyl)quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[7-chloranyl-4-oxidanylidene-2-(quinolin-8-ylmethylsulfanyl)quinazolin-3-yl]propanoic acid Openeye Name: 3-[7-chloro-4-oxo-2-(8-quinolylmethylsulfanyl)quinazolin-3-yl]propanoic acid CAS Name: 3-[7-chloro-4-oxo-2-(8-quinolinylmethylthio)-3-quinazolinyl]propanoic acid IUPAC Name: 3-[7-chloro-4-oxo-2-(quinolin-8-ylmethylsulfanyl)quinazolin-3-yl]propanoic acid Traditional Name: 3-[7-chloro-4-keto-2-(8-quinolylmethylthio)quinazolin-3-yl]propionic acid Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CCC(=O)O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CCC(=O)O)N=CC=C2

InChI

InChI=1S/C21H16ClN3O3S/c22-15-6-7-16-17(11-15)24-21(25(20(16)28)10-8-18(26)27)29-12-14-4-1-3-13-5-2-9-23-19(13)14/h1-7,9,11H,8,10,12H2,(H,26,27)