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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H22O4S MolecularWeight: 382.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C22H22O4S/c1-12-4-5-19-15(6-12)9-20(27-19)22(24)25-11-16-10-21(23)26-18-8-14(3)13(2)7-17(16)18/h7-10,12H,4-6,11H2,1-3H3