tert-butyl 7-[[5-(C-methylsulfanylcarbonimidoyl)-1-(phenylmethyl)indol-2-yl]carbonylamino]heptanoate

Systemtic Name: tert-butyl 7-[[5-(C-methylsulfanylcarbonimidoyl)-1-(phenylmethyl)indol-2-yl]carbonylamino]heptanoate Openeye Name: tert-butyl 7-[[1-benzyl-5-(methylsulfanylcarbonimidoyl)indole-2-carbonyl]amino]heptanoate CAS Name: 7-[[[5-[imino-(methylthio)methyl]-1-(phenylmethyl)-2-indolyl]-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[1-benzyl-5-(C-methylsulfanylcarbonimidoyl)indole-2-carbonyl]amino]heptanoate Traditional Name: 7-[[1-benzyl-5-[(methylthio)carbonimidoyl]indole-2-carbonyl]amino]enanthic acid tert-butyl ester Formula: C29H37N3O3S MolecularWeight: 507.68738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=CC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(=N)SC

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=CC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(=N)SC

InChI

InChI=1S/C29H37N3O3S/c1-29(2,3)35-26(33)14-10-5-6-11-17-31-28(34)25-19-23-18-22(27(30)36-4)15-16-24(23)32(25)20-21-12-8-7-9-13-21/h7-9,12-13,15-16,18-19,30H,5-6,10-11,14,17,20H2,1-4H3,(H,31,34)