(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H17NO6S/c20-13(16-4-2-8-26-16)3-1-7-23-17(21)10-19-18(22)12-5-6-14-15(9-12)25-11-24-14/h2,4-6,8-9H,1,3,7,10-11H2,(H,19,22)