(2R)-1-azanyl-2-methyl-4-[5-(4-phenylmethoxybut-1-ynyl)thiophen-2-yl]butan-1-ol; ethanedioic acid

Systemtic Name: (2R)-1-azanyl-2-methyl-4-[5-(4-phenylmethoxybut-1-ynyl)thiophen-2-yl]butan-1-ol; ethanedioic acid Openeye Name: (2R)-1-amino-4-[5-(4-benzyloxybut-1-ynyl)-2-thienyl]-2-methyl-butan-1-ol; oxalic acid CAS Name: (2R)-1-amino-2-methyl-4-[5-(4-phenylmethoxybut-1-ynyl)-2-thiophenyl]-1-butanol; oxalic acid IUPAC Name: (2R)-1-amino-2-methyl-4-[5-(4-phenylmethoxybut-1-ynyl)thiophen-2-yl]butan-1-ol; oxalic acid Traditional Name: (2R)-1-amino-4-[5-(4-benzoxybut-1-ynyl)-2-thienyl]-2-methyl-butan-1-ol; oxalic acid Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCCOCC2=CC=CC=C2)C(N)O.C(=O)(C(=O)O)O

Isomeric SMILES

C[C@H](CCC1=CC=C(S1)C#CCCOCC2=CC=CC=C2)C(N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NO2S.C2H2O4/c1-16(20(21)22)10-11-19-13-12-18(24-19)9-5-6-14-23-15-17-7-3-2-4-8-17;3-1(4)2(5)6/h2-4,7-8,12-13,16,20,22H,6,10-11,14-15,21H2,1H3;(H,3,4)(H,5,6)/t16-,20?;/m1./s1