ethyl 8-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]octanoate

Systemtic Name: ethyl 8-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]octanoate Openeye Name: ethyl 8-[[5-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]octanoate CAS Name: 8-[[[5-[imino-(methylthio)methyl]-1H-indol-2-yl]-oxomethyl]amino]octanoic acid ethyl ester IUPAC Name: ethyl 8-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]octanoate Traditional Name: 8-[[5-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]caprylic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)SC

Isomeric SMILES

CCOC(=O)CCCCCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)SC

InChI

InChI=1S/C21H29N3O3S/c1-3-27-19(25)9-7-5-4-6-8-12-23-21(26)18-14-16-13-15(20(22)28-2)10-11-17(16)24-18/h10-11,13-14,22,24H,3-9,12H2,1-2H3,(H,23,26)