(2-acetamido-1,3-thiazol-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C16H16N4O5S MolecularWeight: 376.38704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5S/c1-9(21)17-16-19-12(8-26-16)7-25-15(22)10-2-5-13(18-11-3-4-11)14(6-10)20(23)24/h2,5-6,8,11,18H,3-4,7H2,1H3,(H,17,19,21)