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

Systemtic Name: methyl 2-[2-(4-chloranylphenoxy)ethanoylimino]-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(4-chlorophenoxy)acetyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-chlorophenoxy)-1-oxoethyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chlorophenoxy)acetyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-chlorophenoxy)acetyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O5S/c1-3-28-11-10-24-17-9-4-14(20(26)27-2)12-18(17)30-21(24)23-19(25)13-29-16-7-5-15(22)6-8-16/h4-9,12H,3,10-11,13H2,1-2H3