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

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxy-2-oxo-ethyl)-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxy-2-oxoethyl)-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-[3-[(4-methoxyphenyl)thio]propanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC(=O)OC

InChI

InChI=1S/C22H22N2O6S2/c1-28-15-5-7-16(8-6-15)31-11-10-19(25)23-22-24(13-20(26)29-2)17-9-4-14(21(27)30-3)12-18(17)32-22/h4-9,12H,10-11,13H2,1-3H3