2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-keto-2-(piperonylamino)ethyl]-4-methyl-thiazole-5-carboxylate Formula: C15H13N2O5S- MolecularWeight: 333.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C15H14N2O5S/c1-8-14(15(19)20)23-13(17-8)5-12(18)16-6-9-2-3-10-11(4-9)22-7-21-10/h2-4H,5-7H2,1H3,(H,16,18)(H,19,20)/p-1