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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate Openeye Name: [2-(cyclopropylamino)-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-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-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-(cyclopropylamino)-2-keto-ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)OCC(=O)NC4CC4

Isomeric SMILES

C[C@](CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)OCC(=O)NC4CC4

InChI

InChI=1S/C22H22N2O3S/c1-22(15-7-3-2-4-8-15,21(26)27-14-19(25)23-16-11-12-16)13-20-24-17-9-5-6-10-18(17)28-20/h2-10,16H,11-14H2,1H3,(H,23,25)/t22-/m0/s1