2-[4-(hexadecylamino)thiophen-2-yl]carbonyloxybutanedioic acid

Systemtic Name: 2-[4-(hexadecylamino)thiophen-2-yl]carbonyloxybutanedioic acid Openeye Name: 2-[4-(hexadecylamino)thiophene-2-carbonyl]oxybutanedioic acid CAS Name: 2-[[4-(hexadecylamino)-2-thiophenyl]-oxomethoxy]butanedioic acid IUPAC Name: 2-[4-(hexadecylamino)thiophene-2-carbonyl]oxybutanedioic acid Traditional Name: 2-[4-(cetylamino)thiophene-2-carbonyl]oxysuccinic acid Formula: C25H41NO6S MolecularWeight: 483.66114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-20-17-22(33-19-20)25(31)32-21(24(29)30)18-23(27)28/h17,19,21,26H,2-16,18H2,1H3,(H,27,28)(H,29,30)