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

Systemtic Name: methyl 2-[6-methoxy-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methoxy-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methoxy-2-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methoxy-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-methoxy-2-[3-[(4-methoxyphenyl)thio]propanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CC(=O)OC

InChI

InChI=1S/C21H22N2O5S2/c1-26-14-4-7-16(8-5-14)29-11-10-19(24)22-21-23(13-20(25)28-3)17-9-6-15(27-2)12-18(17)30-21/h4-9,12H,10-11,13H2,1-3H3