ethyl 2-(3-azanyl-6-bromanyl-quinolin-4-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3-azanyl-6-bromanyl-quinolin-4-yl)sulfanylethanoate Openeye Name: ethyl 2-[(3-amino-6-bromo-4-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-amino-6-bromo-4-quinolinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-amino-6-bromoquinolin-4-yl)sulfanylacetate Traditional Name: 2-[(3-amino-6-bromo-4-quinolyl)thio]acetic acid ethyl ester Formula: C13H13BrN2O2S MolecularWeight: 341.22352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C2C=C(C=CC2=NC=C1N)Br

Isomeric SMILES

CCOC(=O)CSC1=C2C=C(C=CC2=NC=C1N)Br

InChI

InChI=1S/C13H13BrN2O2S/c1-2-18-12(17)7-19-13-9-5-8(14)3-4-11(9)16-6-10(13)15/h3-6H,2,7,15H2,1H3