(4-butoxycarbonylphenyl) 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (4-butoxycarbonylphenyl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (4-butoxycarbonylphenyl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (4-butoxycarbonylphenyl) ester Formula: C20H17ClO4S MolecularWeight: 388.86458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H17ClO4S/c1-2-3-12-24-19(22)13-8-10-14(11-9-13)25-20(23)18-17(21)15-6-4-5-7-16(15)26-18/h4-11H,2-3,12H2,1H3