ethyl 7-chloranyl-6-methanoyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-6-methanoyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydrobenzothiophene-3-carboxylate CAS Name: 7-chloro-6-formyl-2-(1-oxopentylamino)-4,5-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-6-formyl-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate Traditional Name: 7-chloro-6-formyl-2-(valerylamino)-4,5-dihydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H20ClNO4S MolecularWeight: 369.863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C2=C(S1)C(=C(CC2)C=O)Cl)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC1=C(C2=C(S1)C(=C(CC2)C=O)Cl)C(=O)OCC

InChI

InChI=1S/C17H20ClNO4S/c1-3-5-6-12(21)19-16-13(17(22)23-4-2)11-8-7-10(9-20)14(18)15(11)24-16/h9H,3-8H2,1-2H3,(H,19,21)