(5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-acetamido-3-methyl-phenyl)carbamoyl]phenyl]sulfanylethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-acetamido-3-methyl-phenyl)carbamoyl]phenyl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[2-[(4-acetamido-3-methyl-phenyl)carbamoyl]phenyl]sulfanylacetate CAS Name: 2-[[2-[(4-acetamido-3-methylanilino)-oxomethyl]phenyl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[2-[(4-acetamido-3-methylphenyl)carbamoyl]phenyl]sulfanylacetate Traditional Name: 2-[[2-[(4-acetamido-3-methyl-phenyl)carbamoyl]phenyl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C28H36N2O4S MolecularWeight: 496.66144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)NC(=O)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)NC(=O)C)C)C(C)C

InChI

InChI=1S/C28H36N2O4S/c1-17(2)22-12-10-18(3)14-25(22)34-27(32)16-35-26-9-7-6-8-23(26)28(33)30-21-11-13-24(19(4)15-21)29-20(5)31/h6-9,11,13,15,17-18,22,25H,10,12,14,16H2,1-5H3,(H,29,31)(H,30,33)