ethyl 2-[2-oxidanylidene-4-(4-propan-2-ylphenyl)but-3-enyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-oxidanylidene-4-(4-propan-2-ylphenyl)but-3-enyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-isopropylphenyl)-2-oxo-but-3-enyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[2-oxo-4-(4-propan-2-ylphenyl)but-3-enyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-oxo-4-(4-propan-2-ylphenyl)but-3-enyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-keto-4-p-cumenyl-but-3-enyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H28O3S MolecularWeight: 396.54232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)CC(=O)C=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)CC(=O)C=CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C24H28O3S/c1-4-27-24(26)23-20-7-5-6-8-21(20)28-22(23)15-19(25)14-11-17-9-12-18(13-10-17)16(2)3/h9-14,16H,4-8,15H2,1-3H3