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

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate Openeye Name: [2-(methylcarbamoylamino)-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-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-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-(methylcarbamoylamino)ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-21(14-8-4-3-5-9-14,19(26)28-13-17(25)24-20(27)22-2)12-18-23-15-10-6-7-11-16(15)29-18/h3-11H,12-13H2,1-2H3,(H2,22,24,25,27)/t21-/m0/s1