ethyl 2-[2-(4-chloranylphenoxy)ethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(4-chloranylphenoxy)ethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-chlorophenoxy)acetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-chlorophenoxy)-1-oxoethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chlorophenoxy)acetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-chlorophenoxy)acetyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H21ClN2O4S2 MolecularWeight: 464.98544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=C(C=C3)Cl)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=C(C=C3)Cl)S2)CCSC

InChI

InChI=1S/C21H21ClN2O4S2/c1-3-27-20(26)14-4-9-17-18(12-14)30-21(24(17)10-11-29-2)23-19(25)13-28-16-7-5-15(22)6-8-16/h4-9,12H,3,10-11,13H2,1-2H3