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

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-[4-(p-tolylsulfanyl)butanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[4-[(4-methylphenyl)thio]-1-oxobutyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-[4-(p-tolylthio)butanoylimino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H28N2O5S2 MolecularWeight: 500.63022

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5S2/c1-4-31-23(29)16-27-20-13-10-18(24(30)32-5-2)15-21(20)34-25(27)26-22(28)7-6-14-33-19-11-8-17(3)9-12-19/h8-13,15H,4-7,14,16H2,1-3H3