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

Systemtic Name: methyl 2-[2-(4-chloranylphenoxy)ethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H19ClN2O4S2 MolecularWeight: 450.95886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S2/c1-26-19(25)13-3-8-16-17(11-13)29-20(23(16)9-10-28-2)22-18(24)12-27-15-6-4-14(21)5-7-15/h3-8,11H,9-10,12H2,1-2H3