(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C22H22O5S/c1-3-13-4-7-19-14(8-13)9-20(28-19)22(24)26-12-15-10-21(23)27-18-11-16(25-2)5-6-17(15)18/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3/t13-/m0/s1