2-(2,5-dimethylpyrrol-1-yl)-N-[(2S)-2-oxidanyl-2-phenyl-ethyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[(2S)-2-oxidanyl-2-phenyl-ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-N-[(2S)-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-1,3-benzothiazole-6-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NCC(C4=CC=CC=C4)O)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)NC[C@H](C4=CC=CC=C4)O)C

InChI

InChI=1S/C22H21N3O2S/c1-14-8-9-15(2)25(14)22-24-18-11-10-17(12-20(18)28-22)21(27)23-13-19(26)16-6-4-3-5-7-16/h3-12,19,26H,13H2,1-2H3,(H,23,27)/t19-/m1/s1