[2-[methyl(1-phenylethyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[methyl(1-phenylethyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[methyl(1-phenylethyl)amino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-2-[methyl(1-phenylethyl)amino]ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C1=CC=CC=C1)N(C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

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