[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxo-ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C21H21BrN2O5S MolecularWeight: 493.37084

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CC(=C(C(=C3)Br)OC)OCC

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CC(=C(C(=C3)Br)OC)OCC

InChI

InChI=1S/C21H21BrN2O5S/c1-4-24(21-23-15-8-6-7-9-17(15)30-21)18(25)12-29-20(26)13-10-14(22)19(27-3)16(11-13)28-5-2/h6-11H,4-5,12H2,1-3H3