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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H15NO6S/c19-12(15-2-1-7-25-15)4-6-17(21)22-9-16(20)18-11-3-5-13-14(8-11)24-10-23-13/h1-3,5,7-8H,4,6,9-10H2,(H,18,20)