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

Systemtic Name: 1-azanyl-4-[5-[3-(3-methoxyphenoxy)prop-1-ynyl]thiophen-2-yl]-2-methyl-butan-1-ol; (E)-but-2-enedioic acid Openeye Name: 1-amino-4-[5-[3-(3-methoxyphenoxy)prop-1-ynyl]-2-thienyl]-2-methyl-butan-1-ol; fumaric acid CAS Name: 1-amino-4-[5-[3-(3-methoxyphenoxy)prop-1-ynyl]-2-thiophenyl]-2-methyl-1-butanol; (E)-2-butenedioic acid IUPAC Name: 1-amino-4-[5-[3-(3-methoxyphenoxy)prop-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol; (E)-but-2-enedioic acid Traditional Name: 1-amino-4-[5-[3-(3-methoxyphenoxy)prop-1-ynyl]-2-thienyl]-2-methyl-butan-1-ol; fumaric acid Formula: C23H27NO7S MolecularWeight: 461.52798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3S.C4H4O4/c1-14(19(20)21)8-9-18-11-10-17(24-18)7-4-12-23-16-6-3-5-15(13-16)22-2;5-3(6)1-2-4(7)8/h3,5-6,10-11,13-14,19,21H,8-9,12,20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+