methyl 2-[2-(but-1-ynylcarbamothioylamino)phenyl]ethanoate

Systemtic Name: methyl 2-[2-(but-1-ynylcarbamothioylamino)phenyl]ethanoate Openeye Name: methyl 2-[2-(but-1-ynylcarbamothioylamino)phenyl]acetate CAS Name: 2-[2-[[(but-1-ynylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(but-1-ynylcarbamothioylamino)phenyl]acetate Traditional Name: 2-[2-(but-1-ynylthiocarbamoylamino)phenyl]acetic acid methyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CNC(=S)NC1=CC=CC=C1CC(=O)OC

Isomeric SMILES

CCC#CNC(=S)NC1=CC=CC=C1CC(=O)OC

InChI

InChI=1S/C14H16N2O2S/c1-3-4-9-15-14(19)16-12-8-6-5-7-11(12)10-13(17)18-2/h5-8H,3,10H2,1-2H3,(H2,15,16,19)