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

Systemtic Name: 2-azanyl-2-methyl-4-[5-[(E)-5-phenylpent-1-enyl]thiophen-2-yl]butan-1-ol; (E)-but-2-enedioic acid Openeye Name: 2-amino-2-methyl-4-[5-[(E)-5-phenylpent-1-enyl]-2-thienyl]butan-1-ol; fumaric acid CAS Name: 2-amino-2-methyl-4-[5-[(E)-5-phenylpent-1-enyl]-2-thiophenyl]-1-butanol; (E)-2-butenedioic acid IUPAC Name: 2-amino-2-methyl-4-[5-[(E)-5-phenylpent-1-enyl]thiophen-2-yl]butan-1-ol; (E)-but-2-enedioic acid Traditional Name: 2-amino-2-methyl-4-[5-[(E)-5-phenylpent-1-enyl]-2-thienyl]butan-1-ol; fumaric acid Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C=CCCCC2=CC=CC=C2)(CO)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCC1=CC=C(S1)/C=C/CCCC2=CC=CC=C2)(CO)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H27NOS.C4H4O4/c1-20(21,16-22)15-14-19-13-12-18(23-19)11-7-3-6-10-17-8-4-2-5-9-17;5-3(6)1-2-4(7)8/h2,4-5,7-9,11-13,22H,3,6,10,14-16,21H2,1H3;1-2H,(H,5,6)(H,7,8)/b11-7+;2-1+