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

Systemtic Name: methyl 3-[2-[2-(4-methylphenyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(p-tolylsulfanyl)acetyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2-[(4-methylphenyl)thio]-1-oxoethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(4-methylphenyl)sulfanylacetyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[2-(p-tolylthio)acetyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OC

InChI

InChI=1S/C20H20N2O3S2/c1-14-7-9-15(10-8-14)26-13-18(23)21-20-22(12-11-19(24)25-2)16-5-3-4-6-17(16)27-20/h3-10H,11-13H2,1-2H3