5-(3,3-dimethylbut-1-ynyl)-2-[(4-methylcyclohexyl)carbonyl-(oxan-4-yl)amino]thiophene-3-carboxylic acid

Systemtic Name: 5-(3,3-dimethylbut-1-ynyl)-2-[(4-methylcyclohexyl)carbonyl-(oxan-4-yl)amino]thiophene-3-carboxylic acid Openeye Name: 5-(3,3-dimethylbut-1-ynyl)-2-[(4-methylcyclohexanecarbonyl)-tetrahydropyran-4-yl-amino]thiophene-3-carboxylic acid CAS Name: 5-(3,3-dimethylbut-1-ynyl)-2-[[(4-methylcyclohexyl)-oxomethyl]-(4-oxanyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 5-(3,3-dimethylbut-1-ynyl)-2-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]thiophene-3-carboxylic acid Traditional Name: 5-(3,3-dimethylbut-1-ynyl)-2-[(4-methylcyclohexanecarbonyl)-tetrahydropyran-4-yl-amino]-3-thenoic acid Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCOCC2)C3=C(C=C(S3)C#CC(C)(C)C)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCOCC2)C3=C(C=C(S3)C#CC(C)(C)C)C(=O)O

InChI

InChI=1S/C24H33NO4S/c1-16-5-7-17(8-6-16)21(26)25(18-10-13-29-14-11-18)22-20(23(27)28)15-19(30-22)9-12-24(2,3)4/h15-18H,5-8,10-11,13-14H2,1-4H3,(H,27,28)