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

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxyethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxyethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-[4-(phenylthio)butanoylimino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H28N2O4S2 MolecularWeight: 472.62012

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4S2/c1-3-29-15-14-26-20-13-12-18(23(28)30-4-2)17-21(20)32-24(26)25-22(27)11-8-16-31-19-9-6-5-7-10-19/h5-7,9-10,12-13,17H,3-4,8,11,14-16H2,1-2H3