ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-[4-(phenylthio)butanoylimino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5S2/c1-3-30-22(28)16-26-19-13-12-17(23(29)31-4-2)15-20(19)33-24(26)25-21(27)11-8-14-32-18-9-6-5-7-10-18/h5-7,9-10,12-13,15H,3-4,8,11,14,16H2,1-2H3