methyl 2-[5,6-dimethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5,6-dimethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethyl-2-[1-oxo-3-(phenylthio)propyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5,6-dimethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,6-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=CC2=C(C=C1C)SC(=NC(=O)CCSC3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CCSC3=CC=CC=C3)N2CC(=O)OC

InChI

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