[2-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)amino]-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[(3-ethoxycarbonyl-5-ethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[(3-carbethoxy-5-ethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC(=O)C2COC3=CC=CC=C3O2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC(=O)[C@H]2COC3=CC=CC=C3O2)C(=O)OCC

InChI

InChI=1S/C20H21NO7S/c1-3-12-9-13(19(23)25-4-2)18(29-12)21-17(22)11-27-20(24)16-10-26-14-7-5-6-8-15(14)28-16/h5-9,16H,3-4,10-11H2,1-2H3,(H,21,22)/t16-/m1/s1