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

Systemtic Name: methyl 2-[2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(phenylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S2/c1-25-19(24)14-22-16-10-5-6-11-17(16)27-20(22)21-18(23)12-7-13-26-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3