5-(1,3-benzodioxol-5-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(E)-2-(2-thienyl)vinyl]oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(piperonylamino)-2-[(E)-2-(2-thienyl)vinyl]oxazole-4-carbonitrile Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C(O3)C=CC4=CC=CS4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C(O3)/C=C/C4=CC=CS4)C#N

InChI

InChI=1S/C18H13N3O3S/c19-9-14-18(24-17(21-14)6-4-13-2-1-7-25-13)20-10-12-3-5-15-16(8-12)23-11-22-15/h1-8,20H,10-11H2/b6-4+