methyl 4-(hexadecylamino)thiophene-2-carboxylate

Systemtic Name: methyl 4-(hexadecylamino)thiophene-2-carboxylate Openeye Name: methyl 4-(hexadecylamino)thiophene-2-carboxylate CAS Name: 4-(hexadecylamino)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(hexadecylamino)thiophene-2-carboxylate Traditional Name: 4-(cetylamino)thiophene-2-carboxylic acid methyl ester Formula: C22H39NO2S MolecularWeight: 381.61556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CSC(=C1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CSC(=C1)C(=O)OC

InChI

InChI=1S/C22H39NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-20-18-21(26-19-20)22(24)25-2/h18-19,23H,3-17H2,1-2H3