2-ethylsulfanyl-2-[4-[(3-ethynylphenyl)amino]-6-(2-methoxyethoxy)quinazolin-7-yl]oxy-propanoic acid

Systemtic Name: 2-ethylsulfanyl-2-[4-[(3-ethynylphenyl)amino]-6-(2-methoxyethoxy)quinazolin-7-yl]oxy-propanoic acid Openeye Name: 2-ethylsulfanyl-2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxy-propanoic acid CAS Name: 2-(ethylthio)-2-[[4-(3-ethynylanilino)-6-(2-methoxyethoxy)-7-quinazolinyl]oxy]propanoic acid IUPAC Name: 2-ethylsulfanyl-2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid Traditional Name: 2-(ethylthio)-2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxy-propionic acid Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C(=O)O)OC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCOC

Isomeric SMILES

CCSC(C)(C(=O)O)OC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCOC

InChI

InChI=1S/C24H25N3O5S/c1-5-16-8-7-9-17(12-16)27-22-18-13-20(31-11-10-30-4)21(14-19(18)25-15-26-22)32-24(3,23(28)29)33-6-2/h1,7-9,12-15H,6,10-11H2,2-4H3,(H,28,29)(H,25,26,27)