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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)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-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (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-(propargylamino)ethyl] ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)OCC(=O)NCC#C

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S/c1-3-13-23-19(25)15-27-21(26)22(2,16-9-5-4-6-10-16)14-20-24-17-11-7-8-12-18(17)28-20/h1,4-12H,13-15H2,2H3,(H,23,25)/t22-/m0/s1