methyl 2-[4-[(2-chlorophenyl)amino]quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-[(2-chlorophenyl)amino]quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-(2-chloroanilino)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-(2-chloroanilino)-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-chloroanilino)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(2-chloroanilino)quinazolin-2-yl]thio]acetic acid methyl ester Formula: C17H14ClN3O2S MolecularWeight: 359.82996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3Cl

InChI

InChI=1S/C17H14ClN3O2S/c1-23-15(22)10-24-17-20-13-8-4-2-6-11(13)16(21-17)19-14-9-5-3-7-12(14)18/h2-9H,10H2,1H3,(H,19,20,21)