methyl 4-(4-chlorophenyl)-2-(pentanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-2-(pentanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-2-(pentanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-(1-oxopentylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-(pentanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-(valerylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H18ClNO3S MolecularWeight: 351.84772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C17H18ClNO3S/c1-3-4-5-14(20)19-16-15(17(21)22-2)13(10-23-16)11-6-8-12(18)9-7-11/h6-10H,3-5H2,1-2H3,(H,19,20)