3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylcyclohexyl)amino]-5-[(4E)-4-phenylmethoxyiminocyclohexen-1-yl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylcyclohexyl)amino]-5-[(4E)-4-phenylmethoxyiminocyclohexen-1-yl]thiophene-2-carboxylic acid Openeye Name: 5-[(4E)-4-benzyloxyiminocyclohexen-1-yl]-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 3-[(4-hydroxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-5-[(4E)-4-phenylmethoxyimino-1-cyclohexenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-[(4E)-4-phenylmethoxyiminocyclohexen-1-yl]thiophene-2-carboxylic acid Traditional Name: 5-[(4E)-4-benzyloximinocyclohexen-1-yl]-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C32H40N2O5S MolecularWeight: 564.7354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C4=CCC(=NOCC5=CC=CC=C5)CC4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C4=CC/C(=N/OCC5=CC=CC=C5)/CC4)C(=O)O

InChI

InChI=1S/C32H40N2O5S/c1-21-7-9-24(10-8-21)31(36)34(26-15-17-27(35)18-16-26)28-19-29(40-30(28)32(37)38)23-11-13-25(14-12-23)33-39-20-22-5-3-2-4-6-22/h2-6,11,19,21,24,26-27,35H,7-10,12-18,20H2,1H3,(H,37,38)/b33-25-