[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic 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] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C21H18FNO5S MolecularWeight: 415.434723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H18FNO5S/c1-12-19-14(22)4-2-5-17(19)29-20(12)21(25)28-11-18(24)23-13-6-7-15-16(10-13)27-9-3-8-26-15/h2,4-7,10H,3,8-9,11H2,1H3,(H,23,24)