(E)-4-(1H-imidazol-5-yl)-2,2-dimethyl-3-(thiophen-2-ylmethyl)pent-3-enoic acid

Systemtic Name: (E)-4-(1H-imidazol-5-yl)-2,2-dimethyl-3-(thiophen-2-ylmethyl)pent-3-enoic acid Openeye Name: (E)-4-(1H-imidazol-5-yl)-2,2-dimethyl-3-(2-thienylmethyl)pent-3-enoic acid CAS Name: (E)-4-(1H-imidazol-5-yl)-2,2-dimethyl-3-(thiophen-2-ylmethyl)-3-pentenoic acid IUPAC Name: (E)-4-(1H-imidazol-5-yl)-2,2-dimethyl-3-(thiophen-2-ylmethyl)pent-3-enoic acid Traditional Name: (E)-4-(1H-imidazol-5-yl)-2,2-dimethyl-3-(2-thenyl)pent-3-enoic acid Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CC1=CC=CS1)C(C)(C)C(=O)O)C2=CN=CN2

Isomeric SMILES

C/C(=C(/CC1=CC=CS1)\C(C)(C)C(=O)O)/C2=CN=CN2

InChI

InChI=1S/C15H18N2O2S/c1-10(13-8-16-9-17-13)12(15(2,3)14(18)19)7-11-5-4-6-20-11/h4-6,8-9H,7H2,1-3H3,(H,16,17)(H,18,19)/b12-10+