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

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-4-keto-butyrate Formula: C13H10N3O5S- MolecularWeight: 320.3006

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H11N3O5S/c17-10(3-4-11(18)19)14-13-16-15-12(22-13)7-1-2-8-9(5-7)21-6-20-8/h1-2,5H,3-4,6H2,(H,18,19)(H,14,16,17)/p-1