1-[(2S)-butan-2-yl]-3-isocyanato-indole

Systemtic Name: 1-[(2S)-butan-2-yl]-3-isocyanato-indole Openeye Name: 3-isocyanato-1-[(1S)-1-methylpropyl]indole CAS Name: 1-[(2S)-butan-2-yl]-3-isocyanatoindole IUPAC Name: 1-[(2S)-butan-2-yl]-3-isocyanatoindole Traditional Name: 3-isocyanato-1-[(1S)-1-methylpropyl]indole Formula: C13H14N2O MolecularWeight: 214.26306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C2=CC=CC=C21)N=C=O

Isomeric SMILES

CC[C@H](C)N1C=C(C2=CC=CC=C21)N=C=O

InChI

InChI=1S/C13H14N2O/c1-3-10(2)15-8-12(14-9-16)11-6-4-5-7-13(11)15/h4-8,10H,3H2,1-2H3/t10-/m0/s1