[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (2-oxo-2-ureido-ethyl) 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid (2-keto-2-ureido-ethyl) ester Formula: C14H16N2O8S MolecularWeight: 372.35044

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC(=O)NC(=O)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC(=O)NC(=O)N

InChI

InChI=1S/C14H16N2O8S/c15-14(19)16-12(17)8-24-13(18)3-6-25(20,21)9-1-2-10-11(7-9)23-5-4-22-10/h1-2,7H,3-6,8H2,(H3,15,16,17,19)