[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate

Systemtic Name: [2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate Openeye Name: [2-(2-methoxyethylamino)-2-oxo-ethyl] (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate CAS Name: (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid [2-(2-methoxyethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylamino)-2-oxoethyl] (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoate Traditional Name: (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propionic acid [2-keto-2-(2-methoxyethylamino)ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)OCC(=O)NCCOC

Isomeric SMILES

C[C@](CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)OCC(=O)NCCOC

InChI

InChI=1S/C22H24N2O4S/c1-22(16-8-4-3-5-9-16,21(26)28-15-19(25)23-12-13-27-2)14-20-24-17-10-6-7-11-18(17)29-20/h3-11H,12-15H2,1-2H3,(H,23,25)/t22-/m0/s1