ethyl 2-[[4-(hexadecylamino)thiophen-2-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-(hexadecylamino)thiophen-2-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-(hexadecylamino)thiophene-2-carbonyl]amino]acetate CAS Name: 2-[[[4-(hexadecylamino)-2-thiophenyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(hexadecylamino)thiophene-2-carbonyl]amino]acetate Traditional Name: 2-[[4-(cetylamino)thiophene-2-carbonyl]amino]acetic acid ethyl ester Formula: C25H44N2O3S MolecularWeight: 452.69346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44N2O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-22-19-23(31-21-22)25(29)27-20-24(28)30-4-2/h19,21,26H,3-18,20H2,1-2H3,(H,27,29)