ethyl 2-[2-(1-chloranylisoquinolin-3-yl)sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1-chloranylisoquinolin-3-yl)sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoate Openeye Name: ethyl 2-[2-[(1-chloro-3-isoquinolyl)sulfanyl]-4-methyl-thiazol-5-yl]acetate CAS Name: 2-[2-[(1-chloro-3-isoquinolinyl)thio]-4-methyl-5-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-chloroisoquinolin-3-yl)sulfanyl-4-methyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[(1-chloro-3-isoquinolyl)thio]-4-methyl-thiazol-5-yl]acetic acid ethyl ester Formula: C17H15ClN2O2S2 MolecularWeight: 378.8962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C(S1)SC2=CC3=CC=CC=C3C(=N2)Cl)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C(S1)SC2=CC3=CC=CC=C3C(=N2)Cl)C

InChI

InChI=1S/C17H15ClN2O2S2/c1-3-22-15(21)9-13-10(2)19-17(23-13)24-14-8-11-6-4-5-7-12(11)16(18)20-14/h4-8H,3,9H2,1-2H3