ethyl 5-fluoranyl-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 3-(allylcarbamothioylamino)-5-fluoro-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-(prop-2-enylcarbamothioylamino)-1H-indole-2-carboxylate Traditional Name: 3-(allylthiocarbamoylamino)-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C15H16FN3O2S MolecularWeight: 321.369843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=S)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=S)NCC=C

InChI

InChI=1S/C15H16FN3O2S/c1-3-7-17-15(22)19-12-10-8-9(16)5-6-11(10)18-13(12)14(20)21-4-2/h3,5-6,8,18H,1,4,7H2,2H3,(H2,17,19,22)