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

Systemtic Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-propyl]sulfanylethanoic acid Openeye Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-propyl]sulfanylacetic acid CAS Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxopropyl]thio]acetic acid IUPAC Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxopropyl]sulfanylacetic acid Traditional Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-propyl]thio]acetic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c16-11(8-21-9-14(17)18)7-15-10-2-3-12-13(6-10)20-5-1-4-19-12/h2-3,6,15H,1,4-5,7-9H2,(H,17,18)