(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C17H15ClO4S MolecularWeight: 350.8166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C17H15ClO4S/c18-12-5-10(6-13-16(12)22-9-21-13)8-20-17(19)15-7-11-3-1-2-4-14(11)23-15/h5-7H,1-4,8-9H2