(2S)-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methoxycarbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(1,1-dioxobenzothiophen-2-yl)methoxycarbonylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(1,1-dioxo-1-benzothiophen-2-yl)methoxy-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(1,1-diketobenzothiophen-2-yl)methoxycarbonylamino]-3-methyl-butyric acid Formula: C15H17NO6S MolecularWeight: 339.36358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)OCC1=CC2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)OCC1=CC2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C15H17NO6S/c1-9(2)13(14(17)18)16-15(19)22-8-11-7-10-5-3-4-6-12(10)23(11,20)21/h3-7,9,13H,8H2,1-2H3,(H,16,19)(H,17,18)/t13-/m0/s1