4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-thienyl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-2-thiophenyl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(piperonylcarbamoyl)-2-thienyl]amino]butyrate Formula: C17H15N2O6S- MolecularWeight: 375.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(SC=C3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(SC=C3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H16N2O6S/c20-14(3-4-15(21)22)19-17-11(5-6-26-17)16(23)18-8-10-1-2-12-13(7-10)25-9-24-12/h1-2,5-7H,3-4,8-9H2,(H,18,23)(H,19,20)(H,21,22)/p-1