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

Systemtic Name: methyl 4-(4-chlorophenyl)-2-(nonanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-2-(nonanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-(1-oxononylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-(nonanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-(pelargonylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO3S/c1-3-4-5-6-7-8-9-18(24)23-20-19(21(25)26-2)17(14-27-20)15-10-12-16(22)13-11-15/h10-14H,3-9H2,1-2H3,(H,23,24)