(E)-4-[2-azanyl-4-[5-(5-cyclohexylpent-1-ynyl)thiophen-2-yl]-2-ethyl-butoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-azanyl-4-[5-(5-cyclohexylpent-1-ynyl)thiophen-2-yl]-2-ethyl-butoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-amino-4-[5-(5-cyclohexylpent-1-ynyl)-2-thienyl]-2-ethyl-butoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-amino-4-[5-(5-cyclohexylpent-1-ynyl)-2-thiophenyl]-2-ethylbutoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-amino-4-[5-(5-cyclohexylpent-1-ynyl)thiophen-2-yl]-2-ethylbutoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-amino-4-[5-(5-cyclohexylpent-1-ynyl)-2-thienyl]-2-ethyl-butoxy]-4-keto-but-2-enoic acid Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=C(S1)C#CCCCC2CCCCC2)(COC(=O)C=CC(=O)O)N

Isomeric SMILES

CCC(CCC1=CC=C(S1)C#CCCCC2CCCCC2)(COC(=O)/C=C/C(=O)O)N

InChI

InChI=1S/C25H35NO4S/c1-2-25(26,19-30-24(29)16-15-23(27)28)18-17-22-14-13-21(31-22)12-8-4-7-11-20-9-5-3-6-10-20/h13-16,20H,2-7,9-11,17-19,26H2,1H3,(H,27,28)/b16-15+