methyl (2S)-2-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanoylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanoylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylthio)-1-oxoethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylthio)acetyl]amino]-2-phenyl-acetic acid methyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)CSC2=NC3=C(N2)C=CC=N3

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC3=C(N2)C=CC=N3

InChI

InChI=1S/C17H16N4O3S/c1-24-16(23)14(11-6-3-2-4-7-11)20-13(22)10-25-17-19-12-8-5-9-18-15(12)21-17/h2-9,14H,10H2,1H3,(H,20,22)(H,18,19,21)/t14-/m0/s1