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

Systemtic Name: methyl 2-[4-methyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-methyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-methyl-2-[1-oxo-3-(phenylthio)propyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-methyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-methyl-2-[3-(phenylthio)propanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=NC(=O)CCSC3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=NC(=O)CCSC3=CC=CC=C3)N2CC(=O)OC

InChI

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