S-[2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-acetamido-3-(4-hydroxyphenyl)propanethioate

Systemtic Name: S-[2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2-acetamido-3-(4-hydroxyphenyl)propanethioate Openeye Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-acetamido-3-(4-hydroxyphenyl)propanethioate CAS Name: 2-acetamido-3-(4-hydroxyphenyl)propanethioic acid S-[2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2-acetamido-3-(4-hydroxyphenyl)propanethioate Traditional Name: 2-acetamido-3-(4-hydroxyphenyl)propanethioic acid S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)SC2=CC=CC=C2NC(=O)C3(CCCCC3)C

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)SC2=CC=CC=C2NC(=O)C3(CCCCC3)C

InChI

InChI=1S/C25H30N2O4S/c1-17(28)26-21(16-18-10-12-19(29)13-11-18)23(30)32-22-9-5-4-8-20(22)27-24(31)25(2)14-6-3-7-15-25/h4-5,8-13,21,29H,3,6-7,14-16H2,1-2H3,(H,26,28)(H,27,31)