methyl 2-(4-chloranyl-2-sulfanylidene-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(4-chloranyl-2-sulfanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(4-chloro-2-thioxo-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(4-chloro-2-sulfanylidene-1,3-benzothiazol-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(4-chloro-2-sulfanylidene-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(4-chloro-2-thioxo-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C10H8ClNO2S2 MolecularWeight: 273.75902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC=C2Cl)SC1=S

Isomeric SMILES

COC(=O)CN1C2=C(C=CC=C2Cl)SC1=S

InChI

InChI=1S/C10H8ClNO2S2/c1-14-8(13)5-12-9-6(11)3-2-4-7(9)16-10(12)15/h2-4H,5H2,1H3