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

Systemtic Name: ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C15H19NO5S/c1-2-19-15(18)10-22-9-14(17)16-11-4-5-12-13(8-11)21-7-3-6-20-12/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,16,17)