(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2R)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thenoylamino)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N4O4S/c1-11(2)15(19-16(23)14-8-5-9-27-14)18(25)26-10-22-17(24)12-6-3-4-7-13(12)20-21-22/h3-9,11,15H,10H2,1-2H3,(H,19,23)/t15-/m1/s1