(4-oxidanylidene-4-thiophen-2-yl-butyl) 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C17H12Cl2O3S2 MolecularWeight: 399.31138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CCCOC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CSC(=C1)C(=O)CCCOC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H12Cl2O3S2/c18-10-5-6-11-14(9-10)24-16(15(11)19)17(21)22-7-1-3-12(20)13-4-2-8-23-13/h2,4-6,8-9H,1,3,7H2