methyl 7-[[3-methyl-5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[3-methyl-5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[3-methyl-5-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate CAS Name: 7-[[[5-[imino-(methylthio)methyl]-3-methyl-1H-indol-2-yl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[3-methyl-5-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]heptanoate Traditional Name: 7-[[3-methyl-5-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]enanthic acid methyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=N)SC)C(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=N)SC)C(=O)NCCCCCCC(=O)OC

InChI

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