[(E)-3-[5-(imidazol-1-ylmethyl)thiophen-2-yl]prop-2-enyl] (E)-3-azanylbut-2-enoate

Systemtic Name: [(E)-3-[5-(imidazol-1-ylmethyl)thiophen-2-yl]prop-2-enyl] (E)-3-azanylbut-2-enoate Openeye Name: [(E)-3-[5-(imidazol-1-ylmethyl)-2-thienyl]allyl] (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid [(E)-3-[5-(1-imidazolylmethyl)-2-thiophenyl]prop-2-enyl] ester IUPAC Name: [(E)-3-[5-(imidazol-1-ylmethyl)thiophen-2-yl]prop-2-enyl] (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid [(E)-3-[5-(imidazol-1-ylmethyl)-2-thienyl]allyl] ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC=CC1=CC=C(S1)CN2C=CN=C2)N

Isomeric SMILES

C/C(=C\C(=O)OC/C=C/C1=CC=C(S1)CN2C=CN=C2)/N

InChI

InChI=1S/C15H17N3O2S/c1-12(16)9-15(19)20-8-2-3-13-4-5-14(21-13)10-18-7-6-17-11-18/h2-7,9,11H,8,10,16H2,1H3/b3-2+,12-9+