methyl 2-[4,6-dimethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4,6-dimethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4,6-dimethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,6-dimethyl-2-[1-oxo-3-(phenylthio)propyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4,6-dimethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,6-dimethyl-2-[3-(phenylthio)propanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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