ethyl 4-[6-(prop-2-enylcarbamothioylamino)-4,4a-dihydropyrido[2,3-b]pyrazin-3-yl]benzoate

Systemtic Name: ethyl 4-[6-(prop-2-enylcarbamothioylamino)-4,4a-dihydropyrido[2,3-b]pyrazin-3-yl]benzoate Openeye Name: ethyl 4-[6-(allylcarbamothioylamino)-4,4a-dihydropyrido[2,3-b]pyrazin-3-yl]benzoate CAS Name: 4-[6-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-4,4a-dihydropyrido[2,3-b]pyrazin-3-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-(prop-2-enylcarbamothioylamino)-4,4a-dihydropyrido[2,3-b]pyrazin-3-yl]benzoate Traditional Name: 4-[6-(allylthiocarbamoylamino)-4,4a-dihydropyrido[2,3-b]pyrazin-3-yl]benzoic acid ethyl ester Formula: C20H21N5O2S MolecularWeight: 395.47804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CN=C3C=CC(=NC3N2)NC(=S)NCC=C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CN=C3C=CC(=NC3N2)NC(=S)NCC=C

InChI

InChI=1S/C20H21N5O2S/c1-3-11-21-20(28)25-17-10-9-15-18(24-17)23-16(12-22-15)13-5-7-14(8-6-13)19(26)27-4-2/h3,5-10,12,18,23H,1,4,11H2,2H3,(H2,21,24,25,28)