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

Systemtic Name: (4-methoxycarbonylphenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H18O4S/c1-21-17(19)13-8-6-12(7-9-13)11-22-18(20)16-10-14-4-2-3-5-15(14)23-16/h6-10H,2-5,11H2,1H3