methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-[(4-chlorophenyl)thio]-1-oxobutyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylimino]-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H25ClN2O4S2 MolecularWeight: 493.0386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O4S2/c1-3-30-13-12-26-19-11-6-16(22(28)29-2)15-20(19)32-23(26)25-21(27)5-4-14-31-18-9-7-17(24)8-10-18/h6-11,15H,3-5,12-14H2,1-2H3