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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[(4-cyanophenyl)carbamoyl]phenyl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[2-[(4-cyanophenyl)carbamoyl]phenyl]sulfanylacetate CAS Name: 2-[[2-[(4-cyanoanilino)-oxomethyl]phenyl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[2-[(4-cyanophenyl)carbamoyl]phenyl]sulfanylacetate Traditional Name: 2-[[2-[(4-cyanophenyl)carbamoyl]phenyl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C26H30N2O3S MolecularWeight: 450.593

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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)C#N)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3S/c1-17(2)21-13-8-18(3)14-23(21)31-25(29)16-32-24-7-5-4-6-22(24)26(30)28-20-11-9-19(15-27)10-12-20/h4-7,9-12,17-18,21,23H,8,13-14,16H2,1-3H3,(H,28,30)