5-(5-methylthiophen-3-yl)-2-[3-(6-oxidanylnaphthalen-2-yl)propanoylamino]cyclohexene-1-carboxylic acid

Systemtic Name: 5-(5-methylthiophen-3-yl)-2-[3-(6-oxidanylnaphthalen-2-yl)propanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 2-[3-(6-hydroxy-2-naphthyl)propanoylamino]-5-(5-methyl-3-thienyl)cyclohexene-1-carboxylic acid CAS Name: 2-[[3-(6-hydroxy-2-naphthalenyl)-1-oxopropyl]amino]-5-(5-methyl-3-thiophenyl)-1-cyclohexenecarboxylic acid IUPAC Name: 2-[3-(6-hydroxynaphthalen-2-yl)propanoylamino]-5-(5-methylthiophen-3-yl)cyclohexene-1-carboxylic acid Traditional Name: 2-[3-(6-hydroxy-2-naphthyl)propanoylamino]-5-(5-methyl-3-thienyl)cyclohexene-1-carboxylic acid Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CS1)C2CCC(=C(C2)C(=O)O)NC(=O)CCC3=CC4=C(C=C3)C=C(C=C4)O

Isomeric SMILES

CC1=CC(=CS1)C2CCC(=C(C2)C(=O)O)NC(=O)CCC3=CC4=C(C=C3)C=C(C=C4)O

InChI

InChI=1S/C25H25NO4S/c1-15-10-20(14-31-15)19-6-8-23(22(13-19)25(29)30)26-24(28)9-3-16-2-4-18-12-21(27)7-5-17(18)11-16/h2,4-5,7,10-12,14,19,27H,3,6,8-9,13H2,1H3,(H,26,28)(H,29,30)