5-(cyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-phenyl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(cyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-phenyl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(cyclohexen-1-yl)-3-(N-(4-methylcyclohexanecarbonyl)anilino)thiophene-2-carboxylic acid CAS Name: 5-(1-cyclohexenyl)-3-(N-[(4-methylcyclohexyl)-oxomethyl]anilino)-2-thiophenecarboxylic acid IUPAC Name: 5-(cyclohexen-1-yl)-3-(N-(4-methylcyclohexanecarbonyl)anilino)thiophene-2-carboxylic acid Traditional Name: 5-(cyclohexen-1-yl)-3-(N-(4-methylcyclohexanecarbonyl)anilino)-2-thenoic acid Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=CC=CC=C2)C3=C(SC(=C3)C4=CCCCC4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=CC=CC=C2)C3=C(SC(=C3)C4=CCCCC4)C(=O)O

InChI

InChI=1S/C25H29NO3S/c1-17-12-14-19(15-13-17)24(27)26(20-10-6-3-7-11-20)21-16-22(30-23(21)25(28)29)18-8-4-2-5-9-18/h3,6-8,10-11,16-17,19H,2,4-5,9,12-15H2,1H3,(H,28,29)