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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21NO6S/c1-24-15-4-6-16(7-5-15)28-13-20(23)27-12-19(22)21-14-3-8-17-18(11-14)26-10-2-9-25-17/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,22)