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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate Openeye Name: (2-oxo-2-ureido-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-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-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-ureido-ethyl) ester Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-20(13-7-3-2-4-8-13,18(25)27-12-16(24)23-19(21)26)11-17-22-14-9-5-6-10-15(14)28-17/h2-10H,11-12H2,1H3,(H3,21,23,24,26)/t20-/m0/s1