methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-[(4-chlorophenyl)thio]-1-oxobutyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylimino]-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H23ClN2O5S2 MolecularWeight: 507.02212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H23ClN2O5S2/c1-3-31-21(28)14-26-18-11-6-15(22(29)30-2)13-19(18)33-23(26)25-20(27)5-4-12-32-17-9-7-16(24)8-10-17/h6-11,13H,3-5,12,14H2,1-2H3