(2S,4R)-N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)butyl]-4-hydroxy-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-4-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)butyl]-4-hydroxy-pyrrolidine-2-carboxamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=NC2=CC=CC=C2S1)NC(=O)C3CC(CN3C(=O)C)O

Isomeric SMILES

CCCC(C(=O)C1=NC2=CC=CC=C2S1)NC(=O)[C@@H]3C[C@H](CN3C(=O)C)O

InChI

InChI=1S/C19H23N3O4S/c1-3-6-14(17(25)19-21-13-7-4-5-8-16(13)27-19)20-18(26)15-9-12(24)10-22(15)11(2)23/h4-5,7-8,12,14-15,24H,3,6,9-10H2,1-2H3,(H,20,26)/t12-,14?,15+/m1/s1