methyl (2R)-2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl (2R)-2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl (2R)-2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-benzylsulfanyl-propanoate CAS Name: (2R)-2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-benzylsulfanylpropanoate Traditional Name: (2R)-2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)[C@H](CSCC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H21N3O3S2/c1-26-19(25)17(12-27-11-14-7-3-2-4-8-14)21-18(24)13-28-20-22-15-9-5-6-10-16(15)23-20/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,23)/t17-/m0/s1