methyl 3-(phenylmethylsulfanyl)-2-(2-pyridin-2-ylsulfanylbutanoylamino)propanoate

Systemtic Name: methyl 3-(phenylmethylsulfanyl)-2-(2-pyridin-2-ylsulfanylbutanoylamino)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[2-(2-pyridylsulfanyl)butanoylamino]propanoate CAS Name: 2-[[1-oxo-2-(2-pyridinylthio)butyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-(2-pyridin-2-ylsulfanylbutanoylamino)propanoate Traditional Name: 3-(benzylthio)-2-[2-(2-pyridylthio)butanoylamino]propionic acid methyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)SC2=CC=CC=N2

Isomeric SMILES

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)SC2=CC=CC=N2

InChI

InChI=1S/C20H24N2O3S2/c1-3-17(27-18-11-7-8-12-21-18)19(23)22-16(20(24)25-2)14-26-13-15-9-5-4-6-10-15/h4-12,16-17H,3,13-14H2,1-2H3,(H,22,23)