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

Systemtic Name: ethyl 4-methyl-2-(quinazolin-4-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-(quinazolin-4-ylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-methyl-2-[(4-quinazolinylthio)methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(quinazolin-4-ylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(quinazolin-4-ylthio)methyl]quinoline-3-carboxylic acid ethyl ester Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=NC4=CC=CC=C43)C

InChI

InChI=1S/C22H19N3O2S/c1-3-27-22(26)20-14(2)15-8-4-7-11-18(15)25-19(20)12-28-21-16-9-5-6-10-17(16)23-13-24-21/h4-11,13H,3,12H2,1-2H3