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

Systemtic Name: (3-methoxycarbonylphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (3-methoxycarbonylphenyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (3-methoxycarbonylphenyl) ester IUPAC Name: (3-methoxycarbonylphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (3-carbomethoxyphenyl) ester Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O4S/c1-20-16(18)12-6-4-7-13(9-12)21-17(19)15-10-11-5-2-3-8-14(11)22-15/h4,6-7,9-10H,2-3,5,8H2,1H3