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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC#CC2=CC=C(S2)CCC(C)C(N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCC#CC2=CC=C(S2)CCC(C)C(N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25NO2S.C4H4O4/c1-15-6-9-17(10-7-15)23-14-4-3-5-18-12-13-19(24-18)11-8-16(2)20(21)22;5-3(6)1-2-4(7)8/h6-7,9-10,12-13,16,20,22H,4,8,11,14,21H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+