ethyl 2-(octanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(octanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(octanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-(1-oxooctylamino)-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(octanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(caprylylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H27NO3S/c1-3-5-6-7-11-14-18(23)22-20-19(21(24)25-4-2)17(15-26-20)16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3,(H,22,23)