4-(5-phenyl-1H-imidazol-2-yl)-2-(thiophen-3-ylmethylamino)butanoate

Systemtic Name: 4-(5-phenyl-1H-imidazol-2-yl)-2-(thiophen-3-ylmethylamino)butanoate Openeye Name: 4-(5-phenyl-1H-imidazol-2-yl)-2-(3-thienylmethylamino)butanoate CAS Name: 4-(5-phenyl-1H-imidazol-2-yl)-2-(3-thiophenylmethylamino)butanoate IUPAC Name: 4-(5-phenyl-1H-imidazol-2-yl)-2-(thiophen-3-ylmethylamino)butanoate Traditional Name: 4-(5-phenyl-1H-imidazol-2-yl)-2-(3-thenylamino)butyrate Formula: C18H18N3O2S- MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N2)CCC(C(=O)[O-])NCC3=CSC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N2)CCC(C(=O)[O-])NCC3=CSC=C3

InChI

InChI=1S/C18H19N3O2S/c22-18(23)15(19-10-13-8-9-24-12-13)6-7-17-20-11-16(21-17)14-4-2-1-3-5-14/h1-5,8-9,11-12,15,19H,6-7,10H2,(H,20,21)(H,22,23)/p-1