(2S)-1-(4-ethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-ethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-ethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(4-ethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one Traditional Name: (2S)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-p-phenetyl-propan-1-one Formula: C18H16N2O4S2 MolecularWeight: 388.46064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O4S2/c1-3-24-14-7-4-12(5-8-14)17(21)11(2)25-18-19-15-9-6-13(20(22)23)10-16(15)26-18/h4-11H,3H2,1-2H3/t11-/m0/s1