[1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1-benzofuran-2-carboxylate

Systemtic Name: [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1-benzofuran-2-carboxylate Openeye Name: 1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid 1-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)OC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)OC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C24H25NO6S/c1-3-16(31-23(27)18-13-14-9-5-7-11-17(14)30-18)21(26)25-22-20(24(28)29-4-2)15-10-6-8-12-19(15)32-22/h5,7,9,11,13,16H,3-4,6,8,10,12H2,1-2H3,(H,25,26)