(phenylmethyl) N-[(2R)-3-methyl-1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2R)-3-methyl-1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1R)-2-methyl-1-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]propyl]carbamate CAS Name: N-[(2R)-3-methyl-1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2R)-3-methyl-1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1R)-2-methyl-1-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]propyl]carbamic acid benzyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O5S/c1-12(2)17(22-20(26)29-11-13-6-4-3-5-7-13)18(25)23-19-21-15-9-8-14(24(27)28)10-16(15)30-19/h3-10,12,17H,11H2,1-2H3,(H,22,26)(H,21,23,25)/t17-/m1/s1