methyl 3-(1H-indol-3-yl)-2-[[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylamino]propanoate Openeye Name: methyl 2-[(2-benzylsulfanylpyridine-3-carbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-[2-(phenylmethylthio)-3-pyridinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfanylpyridine-3-carbonyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(benzylthio)nicotinoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=C(N=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=C(N=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S/c1-31-25(30)22(14-18-15-27-21-12-6-5-10-19(18)21)28-23(29)20-11-7-13-26-24(20)32-16-17-8-3-2-4-9-17/h2-13,15,22,27H,14,16H2,1H3,(H,28,29)