[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-enoate CAS Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-propenoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate Traditional Name: (E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]acrylic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)OCC(=O)NC(=O)C3=CC=CS3)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)OCC(=O)NC(=O)C3=CC=CS3)O[C@H](C2)C

InChI

InChI=1S/C21H21NO6S/c1-3-26-16-11-15-9-13(2)28-17(15)10-14(16)6-7-20(24)27-12-19(23)22-21(25)18-5-4-8-29-18/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,22,23,25)/b7-6+/t13-/m0/s1