(2S)-2-acetamido-3-(4-phenoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-phenoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(4-phenoxyphenyl)sulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-phenoxyphenyl)thio]-N-(3-pyridinylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(4-phenoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(4-phenoxyphenyl)thio]-N-(3-pyridylmethyl)propionamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C23H23N3O3S/c1-17(27)26-22(23(28)25-15-18-6-5-13-24-14-18)16-30-21-11-9-20(10-12-21)29-19-7-3-2-4-8-19/h2-14,22H,15-16H2,1H3,(H,25,28)(H,26,27)/t22-/m1/s1