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

Systemtic Name: 1-azanyl-2-methyl-4-[5-[3-(4-methylphenoxy)prop-1-ynyl]thiophen-2-yl]butan-1-ol; (E)-but-2-enedioic acid Openeye Name: 1-amino-2-methyl-4-[5-[3-(4-methylphenoxy)prop-1-ynyl]-2-thienyl]butan-1-ol; fumaric acid CAS Name: 1-amino-2-methyl-4-[5-[3-(4-methylphenoxy)prop-1-ynyl]-2-thiophenyl]-1-butanol; (E)-2-butenedioic acid IUPAC Name: 1-amino-2-methyl-4-[5-[3-(4-methylphenoxy)prop-1-ynyl]thiophen-2-yl]butan-1-ol; (E)-but-2-enedioic acid Traditional Name: 1-amino-2-methyl-4-[5-[3-(4-methylphenoxy)prop-1-ynyl]-2-thienyl]butan-1-ol; fumaric acid Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO2S.C4H4O4/c1-14-5-8-16(9-6-14)22-13-3-4-17-11-12-18(23-17)10-7-15(2)19(20)21;5-3(6)1-2-4(7)8/h5-6,8-9,11-12,15,19,21H,7,10,13,20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+