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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-(butylamino)-2-oxo-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-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-(butylamino)-2-keto-ethyl] ester Formula: C17H23NO7S MolecularWeight: 385.43202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCCNC(=O)COC(=O)CCS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H23NO7S/c1-2-3-7-18-16(19)12-25-17(20)6-10-26(21,22)13-4-5-14-15(11-13)24-9-8-23-14/h4-5,11H,2-3,6-10,12H2,1H3,(H,18,19)