[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)amino]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thenyl)amino]-2-keto-ethyl] ester Formula: C23H20FNO5S MolecularWeight: 441.472003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)F

InChI

InChI=1S/C23H20FNO5S/c1-15-4-5-16(11-19(15)24)23(27)30-14-22(26)25(13-18-3-2-10-31-18)17-6-7-20-21(12-17)29-9-8-28-20/h2-7,10-12H,8-9,13-14H2,1H3