N-[5-[6-(hydroxymethyl)-1,3-benzothiazol-2-yl]-5-oxidanylidene-pentyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[5-[6-(hydroxymethyl)-1,3-benzothiazol-2-yl]-5-oxidanylidene-pentyl]pyrrolidine-2-carboxamide Openeye Name: N-[5-[6-(hydroxymethyl)-1,3-benzothiazol-2-yl]-5-oxo-pentyl]pyrrolidine-2-carboxamide CAS Name: N-[5-[6-(hydroxymethyl)-1,3-benzothiazol-2-yl]-5-oxopentyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-[6-(hydroxymethyl)-1,3-benzothiazol-2-yl]-5-oxopentyl]pyrrolidine-2-carboxamide Traditional Name: N-[5-keto-5-(6-methylol-1,3-benzothiazol-2-yl)pentyl]pyrrolidine-2-carboxamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NCCCCC(=O)C2=NC3=C(S2)C=C(C=C3)CO

Isomeric SMILES

C1CC(NC1)C(=O)NCCCCC(=O)C2=NC3=C(S2)C=C(C=C3)CO

InChI

InChI=1S/C18H23N3O3S/c22-11-12-6-7-13-16(10-12)25-18(21-13)15(23)5-1-2-8-20-17(24)14-4-3-9-19-14/h6-7,10,14,19,22H,1-5,8-9,11H2,(H,20,24)