(4-propanoylphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-propanoylphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (4-propanoylphenyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (4-propionylphenyl) ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H18O3S/c1-2-15(19)12-7-9-14(10-8-12)21-18(20)17-11-13-5-3-4-6-16(13)22-17/h7-11H,2-6H2,1H3