[1-(1,3-benzothiazol-2-yl)-2-[ethyl-(3-methylphenyl)amino]ethyl] 2-sulfanylideneethanoate

Systemtic Name: [1-(1,3-benzothiazol-2-yl)-2-[ethyl-(3-methylphenyl)amino]ethyl] 2-sulfanylideneethanoate Openeye Name: [1-(1,3-benzothiazol-2-yl)-2-(N-ethyl-3-methyl-anilino)ethyl] 2-thioxoacetate CAS Name: 2-sulfanylideneacetic acid [1-(1,3-benzothiazol-2-yl)-2-(N-ethyl-3-methylanilino)ethyl] ester IUPAC Name: [1-(1,3-benzothiazol-2-yl)-2-(N-ethyl-3-methylanilino)ethyl] 2-sulfanylideneacetate Traditional Name: 2-thioxoacetic acid [1-(1,3-benzothiazol-2-yl)-2-(N-ethyl-3-methyl-anilino)ethyl] ester Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(C1=NC2=CC=CC=C2S1)OC(=O)C=S)C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CC(C1=NC2=CC=CC=C2S1)OC(=O)C=S)C3=CC=CC(=C3)C

InChI

InChI=1S/C20H20N2O2S2/c1-3-22(15-8-6-7-14(2)11-15)12-17(24-19(23)13-25)20-21-16-9-4-5-10-18(16)26-20/h4-11,13,17H,3,12H2,1-2H3