2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]thio]acetic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSCC(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSCC(=O)O)OC1

InChI

InChI=1S/C13H15NO5S/c15-12(7-20-8-13(16)17)14-9-2-3-10-11(6-9)19-5-1-4-18-10/h2-3,6H,1,4-5,7-8H2,(H,14,15)(H,16,17)