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

Systemtic Name: methyl 4-phenyl-2-(undecanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-phenyl-2-(undecanoylamino)thiophene-3-carboxylate CAS Name: 2-(1-oxoundecylamino)-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-(undecanoylamino)thiophene-3-carboxylate Traditional Name: 4-phenyl-2-(undecanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3S/c1-3-4-5-6-7-8-9-13-16-20(25)24-22-21(23(26)27-2)19(17-28-22)18-14-11-10-12-15-18/h10-12,14-15,17H,3-9,13,16H2,1-2H3,(H,24,25)