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

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)COCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)COCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O4S/c1-3-15-8-7-9-16(4-2)22(15)24-19(25)12-28-21(26)14-27-13-20-23-17-10-5-6-11-18(17)29-20/h5-11H,3-4,12-14H2,1-2H3,(H,24,25)