methyl 4-methyl-2-(quinazolin-4-ylsulfanylmethyl)quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-(quinazolin-4-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-(quinazolin-4-ylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-methyl-2-[(4-quinazolinylthio)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-(quinazolin-4-ylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(quinazolin-4-ylthio)methyl]quinoline-3-carboxylic acid methyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=NC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=NC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C21H17N3O2S/c1-13-14-7-3-6-10-17(14)24-18(19(13)21(25)26-2)11-27-20-15-8-4-5-9-16(15)22-12-23-20/h3-10,12H,11H2,1-2H3