(2S)-2-acetamido-N-tert-butyl-3-(4-phenoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-tert-butyl-3-(4-phenoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-tert-butyl-3-(4-phenoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-tert-butyl-3-[(4-phenoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-tert-butyl-3-(4-phenoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-tert-butyl-3-[(4-phenoxyphenyl)thio]propionamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H26N2O3S/c1-15(24)22-19(20(25)23-21(2,3)4)14-27-18-12-10-17(11-13-18)26-16-8-6-5-7-9-16/h5-13,19H,14H2,1-4H3,(H,22,24)(H,23,25)/t19-/m1/s1