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

Systemtic Name: methyl 2-(octanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(octanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-(1-oxooctylamino)-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(octanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(caprylylamino)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3S/c1-3-4-5-6-10-13-17(22)21-19-18(20(23)24-2)16(14-25-19)15-11-8-7-9-12-15/h7-9,11-12,14H,3-6,10,13H2,1-2H3,(H,21,22)