dimethyl 5-(phenylmethyl)-1-benzothiophene-2,3-dicarboxylate

Systemtic Name: dimethyl 5-(phenylmethyl)-1-benzothiophene-2,3-dicarboxylate Openeye Name: dimethyl 5-benzylbenzothiophene-2,3-dicarboxylate CAS Name: 5-(phenylmethyl)-1-benzothiophene-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-benzyl-1-benzothiophene-2,3-dicarboxylate Traditional Name: 5-benzylbenzothiophene-2,3-dicarboxylic acid dimethyl ester Formula: C19H16O4S MolecularWeight: 340.39294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1C=C(C=C2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC2=C1C=C(C=C2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H16O4S/c1-22-18(20)16-14-11-13(10-12-6-4-3-5-7-12)8-9-15(14)24-17(16)19(21)23-2/h3-9,11H,10H2,1-2H3