methyl (2S)-2-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylthio)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylthio)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=C(N2)C=CC=N3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NC3=C(N2)C=CC=N3

InChI

InChI=1S/C18H18N4O3S/c1-25-17(24)14(10-12-6-3-2-4-7-12)20-15(23)11-26-18-21-13-8-5-9-19-16(13)22-18/h2-9,14H,10-11H2,1H3,(H,20,23)(H,19,21,22)/t14-/m0/s1