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

Systemtic Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-[(4-methoxyphenyl)thio]propanoylimino]-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O4S3 MolecularWeight: 462.60538

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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)SC)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S3/c1-26-14-4-6-15(7-5-14)29-11-10-19(24)22-21-23(13-20(25)27-2)17-9-8-16(28-3)12-18(17)30-21/h4-9,12H,10-11,13H2,1-3H3