ethyl 2-[4-[[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]methyl]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]methyl]phenyl]ethanoate Openeye Name: ethyl 2-[4-[[[5-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]methyl]phenyl]acetate CAS Name: 2-[4-[[[[5-[imino-(methylthio)methyl]-1H-indol-2-yl]-oxomethyl]amino]methyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[[5-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]methyl]phenyl]acetate Traditional Name: 2-[4-[[[5-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]methyl]phenyl]acetic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)SC

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)SC

InChI

InChI=1S/C22H23N3O3S/c1-3-28-20(26)10-14-4-6-15(7-5-14)13-24-22(27)19-12-17-11-16(21(23)29-2)8-9-18(17)25-19/h4-9,11-12,23,25H,3,10,13H2,1-2H3,(H,24,27)