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

Systemtic Name: [2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[[3-carbethoxy-4-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-keto-ethyl] ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C21H22N2O8S/c1-4-28-21(27)16-11(2)17(18(25)22-3)32-19(16)23-15(24)10-30-20(26)14-9-29-12-7-5-6-8-13(12)31-14/h5-8,14H,4,9-10H2,1-3H3,(H,22,25)(H,23,24)