methyl 3-[6-methyl-2-[2-(4-methylphenyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-methyl-2-[2-(4-methylphenyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-methyl-2-[2-(p-tolylsulfanyl)acetyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-methyl-2-[2-[(4-methylphenyl)thio]-1-oxoethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-methyl-2-[2-(4-methylphenyl)sulfanylacetyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-methyl-2-[2-(p-tolylthio)acetyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C)CCC(=O)OC

InChI

InChI=1S/C21H22N2O3S2/c1-14-4-7-16(8-5-14)27-13-19(24)22-21-23(11-10-20(25)26-3)17-9-6-15(2)12-18(17)28-21/h4-9,12H,10-11,13H2,1-3H3