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

Systemtic Name: methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H19N3O3S/c1-25-18(24)16(11-13-7-3-2-4-8-13)20-17(23)12-26-19-21-14-9-5-6-10-15(14)22-19/h2-10,16H,11-12H2,1H3,(H,20,23)(H,21,22)