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

Systemtic Name: ethyl 2-methyl-7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]heptanoate Openeye Name: ethyl 2-methyl-7-[[5-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate CAS Name: 7-[[[5-[imino-(methylthio)methyl]-1H-indol-2-yl]-oxomethyl]amino]-2-methylheptanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate Traditional Name: 2-methyl-7-[[5-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]enanthic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-4-27-21(26)14(2)8-6-5-7-11-23-20(25)18-13-16-12-15(19(22)28-3)9-10-17(16)24-18/h9-10,12-14,22,24H,4-8,11H2,1-3H3,(H,23,25)