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

Systemtic Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-[(4-methoxyphenyl)thio]propanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC

InChI

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