methyl 2-[6-methyl-2-[2-(phenylmethylsulfanyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methyl-2-[2-(phenylmethylsulfanyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-benzylsulfanylacetyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[1-oxo-2-(phenylmethylthio)ethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-benzylsulfanylacetyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(benzylthio)acetyl]imino-6-methyl-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=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CC(=O)OC

InChI

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