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

Systemtic Name: (E)-4-[2-azanyl-4-[5-(5-cyclohexylpentanoyl)thiophen-2-yl]-2-ethyl-butoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-amino-4-[5-(5-cyclohexylpentanoyl)-2-thienyl]-2-ethyl-butoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-amino-4-[5-(5-cyclohexyl-1-oxopentyl)-2-thiophenyl]-2-ethylbutoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-amino-4-[5-(5-cyclohexylpentanoyl)thiophen-2-yl]-2-ethylbutoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-amino-4-[5-(5-cyclohexylpentanoyl)-2-thienyl]-2-ethyl-butoxy]-4-keto-but-2-enoic acid Formula: C25H37NO5S MolecularWeight: 463.62998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO5S/c1-2-25(26,18-31-24(30)15-14-23(28)29)17-16-20-12-13-22(32-20)21(27)11-7-6-10-19-8-4-3-5-9-19/h12-15,19H,2-11,16-18,26H2,1H3,(H,28,29)/b15-14+