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

Systemtic Name: methyl 3-(2-ethoxyethyl)-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S2/c1-3-29-14-13-25-19-12-11-17(22(27)28-2)16-20(19)31-23(25)24-21(26)10-7-15-30-18-8-5-4-6-9-18/h4-6,8-9,11-12,16H,3,7,10,13-15H2,1-2H3