(4-methoxycarbonylphenyl) (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (4-methoxycarbonylphenyl) (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 (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) (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 (4-carbomethoxyphenyl) ester Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H20O4S/c1-3-12-4-9-16-14(10-12)11-17(24-16)19(21)23-15-7-5-13(6-8-15)18(20)22-2/h5-8,11-12H,3-4,9-10H2,1-2H3/t12-/m0/s1