methyl 2-[6-ethoxy-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-ethoxy-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[3-[(4-methoxyphenyl)thio]propanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)OC)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)OC)S2)CC(=O)OC

InChI

InChI=1S/C22H24N2O5S2/c1-4-29-16-7-10-18-19(13-16)31-22(24(18)14-21(26)28-3)23-20(25)11-12-30-17-8-5-15(27-2)6-9-17/h5-10,13H,4,11-12,14H2,1-3H3