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

Systemtic Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-[(4-chlorophenyl)thio]-1-oxobutyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylimino]-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H21ClN2O5S2 MolecularWeight: 492.99554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O5S2/c1-29-20(27)13-25-17-10-5-14(21(28)30-2)12-18(17)32-22(25)24-19(26)4-3-11-31-16-8-6-15(23)7-9-16/h5-10,12H,3-4,11,13H2,1-2H3