methyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridin-3-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridin-3-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[2-[(2,5-dimethoxyphenyl)thio]-3-pyridinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-[(2,5-dimethoxyphenyl)thio]nicotinoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C26H25N3O5S/c1-32-17-10-11-22(33-2)23(14-17)35-25-19(8-6-12-27-25)24(30)29-21(26(31)34-3)13-16-15-28-20-9-5-4-7-18(16)20/h4-12,14-15,21,28H,13H2,1-3H3,(H,29,30)