[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S2/c1-3-14-8-7-9-15(4-2)20(14)23-18(24)12-26-19(25)13-27-21-22-16-10-5-6-11-17(16)28-21/h5-11H,3-4,12-13H2,1-2H3,(H,23,24)