[2-[(3-ethoxycarbonyl-5-propan-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-5-propan-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-isopropyl-2-thienyl)amino]-2-oxo-ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-[(3-ethoxycarbonyl-5-propan-2-yl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-[(3-carbethoxy-5-isopropyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H18BrNO6S MolecularWeight: 444.29692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)COC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)COC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C17H18BrNO6S/c1-4-23-16(21)10-7-12(9(2)3)26-15(10)19-14(20)8-24-17(22)11-5-6-13(18)25-11/h5-7,9H,4,8H2,1-3H3,(H,19,20)