(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (7,8-dimethyl-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 (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-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-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C23H24O4S MolecularWeight: 396.49926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4C)C

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4C)C

InChI

InChI=1S/C23H24O4S/c1-4-15-6-8-19-16(9-15)10-20(28-19)23(25)26-12-17-11-21(24)27-22-14(3)13(2)5-7-18(17)22/h5,7,10-11,15H,4,6,8-9,12H2,1-3H3/t15-/m0/s1