diethyl 5-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyloxy)benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyloxy)benzene-1,3-dicarboxylate Openeye Name: diethyl 5-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyloxy)benzene-1,3-dicarboxylate CAS Name: 5-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methoxy]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyloxy)benzene-1,3-dicarboxylate Traditional Name: 5-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyloxy)benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H22O6S MolecularWeight: 402.46078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O6S/c1-3-25-19(22)14-9-15(20(23)26-4-2)11-16(10-14)27-21(24)18-12-13-7-5-6-8-17(13)28-18/h9-12H,3-8H2,1-2H3