methyl 2-[4,7-dimethoxy-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4,7-dimethoxy-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4,7-dimethoxy-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,7-dimethoxy-2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4,7-dimethoxy-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,7-dimethoxy-2-[4-(phenylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CCCSC3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CCCSC3=CC=CC=C3)N2CC(=O)OC

InChI

InChI=1S/C22H24N2O5S2/c1-27-16-11-12-17(28-2)21-20(16)24(14-19(26)29-3)22(31-21)23-18(25)10-7-13-30-15-8-5-4-6-9-15/h4-6,8-9,11-12H,7,10,13-14H2,1-3H3