methyl 3-(1H-indol-3-yl)-2-methyl-2-[[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-methyl-2-[[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]carbonylamino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-methyl-2-[[2-methyl-5-[2-(2-pyridylamino)thiazol-5-yl]sulfanyl-benzoyl]amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-methyl-2-[[[2-methyl-5-[[2-(2-pyridinylamino)-5-thiazolyl]thio]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-methyl-2-[[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzoyl]amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-methyl-2-[[2-methyl-5-[[2-(2-pyridylamino)thiazol-5-yl]thio]benzoyl]amino]propionic acid methyl ester Formula: C29H27N5O3S2 MolecularWeight: 557.68638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CN=C(S2)NC3=CC=CC=N3)C(=O)NC(C)(CC4=CNC5=CC=CC=C54)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CN=C(S2)NC3=CC=CC=N3)C(=O)NC(C)(CC4=CNC5=CC=CC=C54)C(=O)OC

InChI

InChI=1S/C29H27N5O3S2/c1-18-11-12-20(38-25-17-32-28(39-25)33-24-10-6-7-13-30-24)14-22(18)26(35)34-29(2,27(36)37-3)15-19-16-31-23-9-5-4-8-21(19)23/h4-14,16-17,31H,15H2,1-3H3,(H,34,35)(H,30,32,33)