(2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide Openeye Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide CAS Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-[[(2R)-2-oxolanyl]methyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide Traditional Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propionamide Formula: C16H21BrN2O3S MolecularWeight: 401.31854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)NCC2CCCO2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC(=CC=C1)Br)C(=O)NC[C@H]2CCCO2

InChI

InChI=1S/C16H21BrN2O3S/c1-11(20)19-15(10-23-14-6-2-4-12(17)8-14)16(21)18-9-13-5-3-7-22-13/h2,4,6,8,13,15H,3,5,7,9-10H2,1H3,(H,18,21)(H,19,20)/t13-,15-/m1/s1