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

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[(2S,3S)-3-methyl-1-oxidanyl-pentan-2-yl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[(1S,2S)-1-(hydroxymethyl)-2-methyl-butyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-[(1S,2S)-2-methyl-1-methylol-butyl]-1,3-benzothiazole-6-carboxamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CO)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C(=CC=C3C)C

Isomeric SMILES

CC[C@H](C)[C@@H](CO)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C(=CC=C3C)C

InChI

InChI=1S/C20H25N3O2S/c1-5-12(2)17(11-24)21-19(25)15-8-9-16-18(10-15)26-20(22-16)23-13(3)6-7-14(23)4/h6-10,12,17,24H,5,11H2,1-4H3,(H,21,25)/t12-,17+/m0/s1