[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-2-oxoethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)COC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

CN(CC1COC2=CC=CC=C2O1)C(=O)COC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C21H20N2O5S/c1-22(12-15-13-26-17-6-2-3-7-18(17)28-15)19(24)14-27-21(25)20-16(8-11-29-20)23-9-4-5-10-23/h2-11,15H,12-14H2,1H3