[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-[benzyl(methyl)amino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-[methyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-[benzyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O3S2/c1-22(13-15-7-3-2-4-8-15)18(23)14-25-19(24)11-12-26-20-21-16-9-5-6-10-17(16)27-20/h2-10H,11-14H2,1H3