methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-chlorophenyl)thio]-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-[(4-chlorophenyl)thio]butanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19ClN2O3S2 MolecularWeight: 434.95946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O3S2/c1-26-19(25)13-23-16-5-2-3-6-17(16)28-20(23)22-18(24)7-4-12-27-15-10-8-14(21)9-11-15/h2-3,5-6,8-11H,4,7,12-13H2,1H3