[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-oxo-ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic 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] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [2-[[3-carbethoxy-4-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-keto-ethyl] ester Formula: C22H21ClN2O7S MolecularWeight: 492.92934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)C

InChI

InChI=1S/C22H21ClN2O7S/c1-5-30-21(28)16-11(3)18(19(27)24-4)33-20(16)25-15(26)9-31-22(29)17-10(2)13-8-12(23)6-7-14(13)32-17/h6-8H,5,9H2,1-4H3,(H,24,27)(H,25,26)