2-[[4-(hexadecylamino)thiophen-2-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-(hexadecylamino)thiophen-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(hexadecylamino)thiophene-2-carbonyl]amino]acetic acid CAS Name: 2-[[[4-(hexadecylamino)-2-thiophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(hexadecylamino)thiophene-2-carbonyl]amino]acetic acid Traditional Name: 2-[[4-(cetylamino)thiophene-2-carbonyl]amino]acetic acid Formula: C23H40N2O3S MolecularWeight: 424.6403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-20-17-21(29-19-20)23(28)25-18-22(26)27/h17,19,24H,2-16,18H2,1H3,(H,25,28)(H,26,27)