2-azanyl-4-[5-(5-cyclohexylpent-1-ynyl)thiophen-2-yl]-2-ethyl-butan-1-ol; (E)-but-2-enedioic acid

Systemtic Name: 2-azanyl-4-[5-(5-cyclohexylpent-1-ynyl)thiophen-2-yl]-2-ethyl-butan-1-ol; (E)-but-2-enedioic acid Openeye Name: 2-amino-4-[5-(5-cyclohexylpent-1-ynyl)-2-thienyl]-2-ethyl-butan-1-ol; fumaric acid CAS Name: 2-amino-4-[5-(5-cyclohexylpent-1-ynyl)-2-thiophenyl]-2-ethyl-1-butanol; (E)-2-butenedioic acid IUPAC Name: 2-amino-4-[5-(5-cyclohexylpent-1-ynyl)thiophen-2-yl]-2-ethylbutan-1-ol; (E)-but-2-enedioic acid Traditional Name: 2-amino-4-[5-(5-cyclohexylpent-1-ynyl)-2-thienyl]-2-ethyl-butan-1-ol; fumaric acid Formula: C25H37NO5S MolecularWeight: 463.62998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=C(S1)C#CCCCC2CCCCC2)(CO)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(CCC1=CC=C(S1)C#CCCCC2CCCCC2)(CO)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H33NOS.C4H4O4/c1-2-21(22,17-23)16-15-20-14-13-19(24-20)12-8-4-7-11-18-9-5-3-6-10-18;5-3(6)1-2-4(7)8/h13-14,18,23H,2-7,9-11,15-17,22H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+