ethyl 2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-(3,5-dimethoxyanilino)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(3,5-dimethoxyanilino)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C20H21N3O4S/c1-4-27-18(24)12-28-20-22-17-8-6-5-7-16(17)19(23-20)21-13-9-14(25-2)11-15(10-13)26-3/h5-11H,4,12H2,1-3H3,(H,21,22,23)