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

Systemtic Name: ethyl 2-[4-[(3,4,5-trimethoxyphenyl)amino]quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-(3,4,5-trimethoxyanilino)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-5-29-18(25)12-30-21-23-15-9-7-6-8-14(15)20(24-21)22-13-10-16(26-2)19(28-4)17(11-13)27-3/h6-11H,5,12H2,1-4H3,(H,22,23,24)