5-azanyl-4-(1,3-benzothiazol-2-yl)-1-[(2S)-2-ethylhexyl]-2H-pyrrol-3-one

Systemtic Name: 5-azanyl-4-(1,3-benzothiazol-2-yl)-1-[(2S)-2-ethylhexyl]-2H-pyrrol-3-one Openeye Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-[(2S)-2-ethylhexyl]-2H-pyrrol-3-one CAS Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-[(2S)-2-ethylhexyl]-2H-pyrrol-3-one IUPAC Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-[(2S)-2-ethylhexyl]-2H-pyrrol-3-one Traditional Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-[(2S)-2-ethylhexyl]-2-pyrrolin-3-one Formula: C19H25N3OS MolecularWeight: 343.4863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC[C@H](CC)CN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H25N3OS/c1-3-5-8-13(4-2)11-22-12-15(23)17(18(22)20)19-21-14-9-6-7-10-16(14)24-19/h6-7,9-10,13H,3-5,8,11-12,20H2,1-2H3/t13-/m0/s1