ethyl 7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]heptanoate

Systemtic Name: ethyl 7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]heptanoate Openeye Name: ethyl 7-[[5-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate CAS Name: 7-[[[5-[imino-(methylthio)methyl]-1H-indol-2-yl]-oxomethyl]amino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate Traditional Name: 7-[[5-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]enanthic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-3-26-18(24)8-6-4-5-7-11-22-20(25)17-13-15-12-14(19(21)27-2)9-10-16(15)23-17/h9-10,12-13,21,23H,3-8,11H2,1-2H3,(H,22,25)