methyl 3-[5-methoxy-2-(2-phenylsulfanylethanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[5-methoxy-2-(2-phenylsulfanylethanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[5-methoxy-2-(2-phenylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[5-methoxy-2-[1-oxo-2-(phenylthio)ethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-methoxy-2-(2-phenylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[5-methoxy-2-[2-(phenylthio)acetyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)CSC3=CC=CC=C3)N2CCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)CSC3=CC=CC=C3)N2CCC(=O)OC

InChI

InChI=1S/C20H20N2O4S2/c1-25-14-8-9-17-16(12-14)22(11-10-19(24)26-2)20(28-17)21-18(23)13-27-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3