[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4-(2-thienylsulfonylamino)benzoate CAS Name: 4-(thiophen-2-ylsulfonylamino)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 4-(2-thienylsulfonylamino)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C20H16N2O7S2 MolecularWeight: 460.48024

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H16N2O7S2/c23-18(21-15-7-8-16-17(10-15)29-12-28-16)11-27-20(24)13-3-5-14(6-4-13)22-31(25,26)19-2-1-9-30-19/h1-10,22H,11-12H2,(H,21,23)