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

Systemtic Name: 2-azanyl-4-[5-[3-(cyclohexylmethoxy)prop-1-ynyl]thiophen-2-yl]-2-methyl-butan-1-ol; (E)-but-2-enedioic acid Openeye Name: 2-amino-4-[5-[3-(cyclohexylmethoxy)prop-1-ynyl]-2-thienyl]-2-methyl-butan-1-ol; fumaric acid CAS Name: 2-amino-4-[5-[3-(cyclohexylmethoxy)prop-1-ynyl]-2-thiophenyl]-2-methyl-1-butanol; (E)-2-butenedioic acid IUPAC Name: 2-amino-4-[5-[3-(cyclohexylmethoxy)prop-1-ynyl]thiophen-2-yl]-2-methylbutan-1-ol; (E)-but-2-enedioic acid Traditional Name: 2-amino-4-[5-[3-(cyclohexylmethoxy)prop-1-ynyl]-2-thienyl]-2-methyl-butan-1-ol; fumaric acid Formula: C23H33NO6S MolecularWeight: 451.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCOCC2CCCCC2)(CO)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCC1=CC=C(S1)C#CCOCC2CCCCC2)(CO)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H29NO2S.C4H4O4/c1-19(20,15-21)12-11-18-10-9-17(23-18)8-5-13-22-14-16-6-3-2-4-7-16;5-3(6)1-2-4(7)8/h9-10,16,21H,2-4,6-7,11-15,20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+