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

Systemtic Name: ethyl 2-[2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-[2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(phenylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-2-26-20(25)15-23-17-11-6-7-12-18(17)28-21(23)22-19(24)13-8-14-27-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3