[2-[(5-bromanyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

Systemtic Name: [2-[(5-bromanyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Openeye Name: [2-[(5-bromo-3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate CAS Name: 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[(5-bromo-3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid [2-[(5-bromo-3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H18BrNO7S MolecularWeight: 496.32842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)COC(=O)C3=COCCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)COC(=O)C3=COCCO3

InChI

InChI=1S/C20H18BrNO7S/c1-2-27-20(25)16-15(12-6-4-3-5-7-12)17(21)30-18(16)22-14(23)11-29-19(24)13-10-26-8-9-28-13/h3-7,10H,2,8-9,11H2,1H3,(H,22,23)