(5-methyl-2-propan-2-yl-cyclohexyl) 2-(4-acetamidophenyl)sulfanylethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(4-acetamidophenyl)sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(4-acetamidophenyl)sulfanylacetate CAS Name: 2-[(4-acetamidophenyl)thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-acetamidophenyl)sulfanylacetate Traditional Name: 2-[(4-acetamidophenyl)thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=CC=C(C=C2)NC(=O)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=CC=C(C=C2)NC(=O)C)C(C)C

InChI

InChI=1S/C20H29NO3S/c1-13(2)18-10-5-14(3)11-19(18)24-20(23)12-25-17-8-6-16(7-9-17)21-15(4)22/h6-9,13-14,18-19H,5,10-12H2,1-4H3,(H,21,22)