ethyl (2S,3R)-5-azanyl-2-(1H-benzimidazol-2-yl)-3-phenyl-2,3-dihydrothiophene-4-carboxylate

Systemtic Name: ethyl (2S,3R)-5-azanyl-2-(1H-benzimidazol-2-yl)-3-phenyl-2,3-dihydrothiophene-4-carboxylate Openeye Name: ethyl (2S,3R)-5-amino-2-(1H-benzimidazol-2-yl)-3-phenyl-2,3-dihydrothiophene-4-carboxylate CAS Name: (2S,3R)-5-amino-2-(1H-benzimidazol-2-yl)-3-phenyl-2,3-dihydrothiophene-4-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-5-amino-2-(1H-benzimidazol-2-yl)-3-phenyl-2,3-dihydrothiophene-4-carboxylate Traditional Name: (2S,3R)-5-amino-2-(1H-benzimidazol-2-yl)-3-phenyl-2,3-dihydrothiophene-4-carboxylic acid ethyl ester Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(C1C2=CC=CC=C2)C3=NC4=CC=CC=C4N3)N

Isomeric SMILES

CCOC(=O)C1=C(S[C@@H]([C@@H]1C2=CC=CC=C2)C3=NC4=CC=CC=C4N3)N

InChI

InChI=1S/C20H19N3O2S/c1-2-25-20(24)16-15(12-8-4-3-5-9-12)17(26-18(16)21)19-22-13-10-6-7-11-14(13)23-19/h3-11,15,17H,2,21H2,1H3,(H,22,23)/t15-,17+/m1/s1