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

Systemtic Name: 2-ethylsulfanyl-2-[4-[(3-ethynylphenyl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl]oxy-ethanoic acid Openeye Name: 2-ethylsulfanyl-2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxy-acetic acid CAS Name: 2-(ethylthio)-2-[[4-(3-ethynylanilino)-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]acetic acid IUPAC Name: 2-ethylsulfanyl-2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyacetic acid Traditional Name: 2-(ethylthio)-2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxy-acetic acid Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(=O)O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC

Isomeric SMILES

CCSC(C(=O)O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC

InChI

InChI=1S/C23H23N3O5S/c1-4-15-7-6-8-16(11-15)26-21-17-12-20(31-23(22(27)28)32-5-2)19(30-10-9-29-3)13-18(17)24-14-25-21/h1,6-8,11-14,23H,5,9-10H2,2-3H3,(H,27,28)(H,24,25,26)