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

Systemtic Name: tert-butyl 7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]-3-phenyl-heptanoate Openeye Name: tert-butyl 7-[[5-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]-3-phenyl-heptanoate CAS Name: 7-[[[5-[imino-(methylthio)methyl]-1H-indol-2-yl]-oxomethyl]amino]-3-phenylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]-3-phenylheptanoate Traditional Name: 7-[[5-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]-3-phenyl-enanthic acid tert-butyl ester Formula: C28H35N3O3S MolecularWeight: 493.6608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)SC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)SC)C3=CC=CC=C3

InChI

InChI=1S/C28H35N3O3S/c1-28(2,3)34-25(32)18-20(19-10-6-5-7-11-19)12-8-9-15-30-27(33)24-17-22-16-21(26(29)35-4)13-14-23(22)31-24/h5-7,10-11,13-14,16-17,20,29,31H,8-9,12,15,18H2,1-4H3,(H,30,33)