1-azanyl-4-[5-[3-(4-ethylphenoxy)prop-1-ynyl]thiophen-2-yl]-2-methyl-butan-1-ol; (E)-but-2-enedioic acid

Systemtic Name: 1-azanyl-4-[5-[3-(4-ethylphenoxy)prop-1-ynyl]thiophen-2-yl]-2-methyl-butan-1-ol; (E)-but-2-enedioic acid Openeye Name: 1-amino-4-[5-[3-(4-ethylphenoxy)prop-1-ynyl]-2-thienyl]-2-methyl-butan-1-ol; fumaric acid CAS Name: 1-amino-4-[5-[3-(4-ethylphenoxy)prop-1-ynyl]-2-thiophenyl]-2-methyl-1-butanol; (E)-2-butenedioic acid IUPAC Name: 1-amino-4-[5-[3-(4-ethylphenoxy)prop-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol; (E)-but-2-enedioic acid Traditional Name: 1-amino-4-[5-[3-(4-ethylphenoxy)prop-1-ynyl]-2-thienyl]-2-methyl-butan-1-ol; fumaric acid Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC#CC2=CC=C(S2)CCC(C)C(N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC#CC2=CC=C(S2)CCC(C)C(N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25NO2S.C4H4O4/c1-3-16-7-9-17(10-8-16)23-14-4-5-18-12-13-19(24-18)11-6-15(2)20(21)22;5-3(6)1-2-4(7)8/h7-10,12-13,15,20,22H,3,6,11,14,21H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+