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

Systemtic Name: 1-azanyl-2-methyl-4-[5-[3-(4-methylsulfanylphenoxy)prop-1-ynyl]thiophen-2-yl]butan-1-ol; (E)-but-2-enedioic acid Openeye Name: 1-amino-2-methyl-4-[5-[3-(4-methylsulfanylphenoxy)prop-1-ynyl]-2-thienyl]butan-1-ol; fumaric acid CAS Name: 1-amino-2-methyl-4-[5-[3-[4-(methylthio)phenoxy]prop-1-ynyl]-2-thiophenyl]-1-butanol; (E)-2-butenedioic acid IUPAC Name: 1-amino-2-methyl-4-[5-[3-(4-methylsulfanylphenoxy)prop-1-ynyl]thiophen-2-yl]butan-1-ol; (E)-but-2-enedioic acid Traditional Name: 1-amino-2-methyl-4-[5-[3-[4-(methylthio)phenoxy]prop-1-ynyl]-2-thienyl]butan-1-ol; fumaric acid Formula: C23H27NO6S2 MolecularWeight: 477.59358

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCOC2=CC=C(C=C2)SC)C(N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCC1=CC=C(S1)C#CCOC2=CC=C(C=C2)SC)C(N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H23NO2S2.C4H4O4/c1-14(19(20)21)5-8-18-12-11-17(24-18)4-3-13-22-15-6-9-16(23-2)10-7-15;5-3(6)1-2-4(7)8/h6-7,9-12,14,19,21H,5,8,13,20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+