methyl 2-[2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSCC(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSCC(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC)C

InChI

InChI=1S/C21H27N3O4S2/c1-14-8-15(2)10-23(9-14)19(26)13-29-12-18(25)22-21-24(11-20(27)28-3)16-6-4-5-7-17(16)30-21/h4-7,14-15H,8-13H2,1-3H3