(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(5-methylisoxazol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide CAS Name: (2S)-N-(5-methyl-3-isoxazolyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propanamide IUPAC Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(5-methylisoxazol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propionamide Formula: C14H12N4O4S2 MolecularWeight: 364.39948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O4S2/c1-7-5-12(17-22-7)16-13(19)8(2)23-14-15-10-4-3-9(18(20)21)6-11(10)24-14/h3-6,8H,1-2H3,(H,16,17,19)/t8-/m0/s1