methyl 2-(4-aminocarbonylquinolin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(4-aminocarbonylquinolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(4-carbamoyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-carbamoyl-2-quinolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-carbamoylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-quinolyl)thio]acetic acid methyl ester Formula: C13H12N2O3S MolecularWeight: 276.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)N

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)N

InChI

InChI=1S/C13H12N2O3S/c1-18-12(16)7-19-11-6-9(13(14)17)8-4-2-3-5-10(8)15-11/h2-6H,7H2,1H3,(H2,14,17)