ethyl 3-[4-[[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]methyl]phenyl]propanoate

Systemtic Name: ethyl 3-[4-[[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]methyl]phenyl]propanoate Openeye Name: ethyl 3-[4-[[[5-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]methyl]phenyl]propanoate CAS Name: 3-[4-[[[[5-[imino-(methylthio)methyl]-1H-indol-2-yl]-oxomethyl]amino]methyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[[[5-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]methyl]phenyl]propanoate Traditional Name: 3-[4-[[[5-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]methyl]phenyl]propionic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)SC

Isomeric SMILES

CCOC(=O)CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)SC

InChI

InChI=1S/C23H25N3O3S/c1-3-29-21(27)11-8-15-4-6-16(7-5-15)14-25-23(28)20-13-18-12-17(22(24)30-2)9-10-19(18)26-20/h4-7,9-10,12-13,24,26H,3,8,11,14H2,1-2H3,(H,25,28)