methyl 2-(decanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(decanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(decanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-(1-oxodecylamino)-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(decanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(caprylamino)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCCC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H29NO3S/c1-3-4-5-6-7-8-12-15-19(24)23-21-20(22(25)26-2)18(16-27-21)17-13-10-9-11-14-17/h9-11,13-14,16H,3-8,12,15H2,1-2H3,(H,23,24)