methyl (2S)-2-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H23N3O3S/c1-31-24(30)22(15-17-7-3-2-4-8-17)26-23(29)19-13-11-18(12-14-19)16-32-25-27-20-9-5-6-10-21(20)28-25/h2-14,22H,15-16H2,1H3,(H,26,29)(H,27,28)/t22-/m0/s1