methyl 3-[6-methyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-methyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-methyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-methyl-2-[1-oxo-3-(phenylthio)propyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-methyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-methyl-2-[3-(phenylthio)propanoylimino]-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=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CCC(=O)OC

InChI

InChI=1S/C21H22N2O3S2/c1-15-8-9-17-18(14-15)28-21(23(17)12-10-20(25)26-2)22-19(24)11-13-27-16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3